N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

C38H45ClN10O3S — CID 168901999

IUPACN-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCN3CCN(c4ccc(C5CCC(=O)NC5=O)cc4)CC3)CC2)n1
InChIInChI=1S/C38H45ClN10O3S/c1-25-5-3-6-30(39)35(25)45-37(52)31-24-40-38(53-31)43-32-23-33(42-26(2)41-32)49-21-17-47(18-22-49)14-4-13-46-15-19-48(20-16-46)28-9-7-27(8-10-28)29-11-12-34(50)44-36(29)51/h3,5-10,23-24,29H,4,11-22H2,1-2H3,(H,45,52)(H,44,50,51)(H,40,41,42,43)
InChIKeySZPWQHSVDSLOKN-UHFFFAOYSA-N
MW757.37 g/mol
LogP5.05
Rot. Bonds11

About N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 168901999) has the molecular formula C38H45ClN10O3S and a molecular weight of 757.37 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
PubChem CID168901999
Molecular FormulaC38H45ClN10O3S
Molecular Weight757.37 g/mol
Exact Mass756.31
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCN3CCN(c4ccc(C5CCC(=O)NC5=O)cc4)CC3)CC2)n1
InChIInChI=1S/C38H45ClN10O3S/c1-25-5-3-6-30(39)35(25)45-37(52)31-24-40-38(53-31)43-32-23-33(42-26(2)41-32)49-21-17-47(18-22-49)14-4-13-46-15-19-48(20-16-46)28-9-7-27(8-10-28)29-11-12-34(50)44-36(29)51/h3,5-10,23-24,29H,4,11-22H2,1-2H3,(H,45,52)(H,44,50,51)(H,40,41,42,43)
InChIKeySZPWQHSVDSLOKN-UHFFFAOYSA-N
XLogP5.05
TPSA138.93 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500757.37
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (CID 168901999) is N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCN3CCN(c4ccc(C5CCC(=O)NC5=O)cc4)CC3)CC2)n1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is SZPWQHSVDSLOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45ClN10O3S/c1-25-5-3-6-30(39)35(25)45-37(52)31-24-40-38(53-31)43-32-23-33(42-26(2)41-32)49-21-17-47(18-22-49)14-4-13-46-15-19-48(20-16-46)28-9-7-27(8-10-28)29-11-12-34(50)44-36(29)51/h3,5-10,23-24,29H,4,11-22H2,1-2H3,(H,45,52)(H,44,50,51)(H,40,41,42,43).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 757.37 g/mol, XLogP of 5.05, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 168901999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).