N-(2-chloro-6-methylphenyl)-2-[[2-[2-[2-(1,3-thiazol-2-yl)acetyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

C27H26ClN7O2S2 — CID 149007716

IUPACN-(2-chloro-6-methylphenyl)-2-[[2-[2-[2-(1,3-thiazol-2-yl)acetyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(N3CCCC3C(=O)Cc3nccs3)nc3c2CCC3)s1
InChIInChI=1S/C27H26ClN7O2S2/c1-15-5-2-7-17(28)23(15)32-25(37)21-14-30-27(39-21)34-24-16-6-3-8-18(16)31-26(33-24)35-11-4-9-19(35)20(36)13-22-29-10-12-38-22/h2,5,7,10,12,14,19H,3-4,6,8-9,11,13H2,1H3,(H,32,37)(H,30,31,33,34)
InChIKeyQAXHHVMWDUYIGR-UHFFFAOYSA-N
MW580.14 g/mol
LogP5.62
Rot. Bonds8

About N-(2-chloro-6-methylphenyl)-2-[[2-[2-[2-(1,3-thiazol-2-yl)acetyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[2-[2-[2-(1,3-thiazol-2-yl)acetyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 149007716) has the molecular formula C27H26ClN7O2S2 and a molecular weight of 580.14 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[2-[2-[2-(1,3-thiazol-2-yl)acetyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-[[2-[2-[2-(1,3-thiazol-2-yl)acetyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
PubChem CID149007716
Molecular FormulaC27H26ClN7O2S2
Molecular Weight580.14 g/mol
Exact Mass579.13
IUPAC NameN-(2-chloro-6-methylphenyl)-2-[[2-[2-[2-(1,3-thiazol-2-yl)acetyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(N3CCCC3C(=O)Cc3nccs3)nc3c2CCC3)s1
InChIInChI=1S/C27H26ClN7O2S2/c1-15-5-2-7-17(28)23(15)32-25(37)21-14-30-27(39-21)34-24-16-6-3-8-18(16)31-26(33-24)35-11-4-9-19(35)20(36)13-22-29-10-12-38-22/h2,5,7,10,12,14,19H,3-4,6,8-9,11,13H2,1H3,(H,32,37)(H,30,31,33,34)
InChIKeyQAXHHVMWDUYIGR-UHFFFAOYSA-N
XLogP5.62
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.14
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(2-chloro-6-methylphenyl)-2-[[2-[2-[2-(1,3-thiazol-2-yl)acetyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-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-[[2-[2-[2-(1,3-thiazol-2-yl)acetyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[2-[2-[2-(1,3-thiazol-2-yl)acetyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (CID 149007716) is N-(2-chloro-6-methylphenyl)-2-[[2-[2-[2-(1,3-thiazol-2-yl)acetyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[2-[2-[2-(1,3-thiazol-2-yl)acetyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[2-[2-[2-(1,3-thiazol-2-yl)acetyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(N3CCCC3C(=O)Cc3nccs3)nc3c2CCC3)s1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[2-[2-[2-(1,3-thiazol-2-yl)acetyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is QAXHHVMWDUYIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN7O2S2/c1-15-5-2-7-17(28)23(15)32-25(37)21-14-30-27(39-21)34-24-16-6-3-8-18(16)31-26(33-24)35-11-4-9-19(35)20(36)13-22-29-10-12-38-22/h2,5,7,10,12,14,19H,3-4,6,8-9,11,13H2,1H3,(H,32,37)(H,30,31,33,34).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[2-[2-[2-(1,3-thiazol-2-yl)acetyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?
N-(2-chloro-6-methylphenyl)-2-[[2-[2-[2-(1,3-thiazol-2-yl)acetyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 580.14 g/mol, XLogP of 5.62, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-[[2-[2-[2-(1,3-thiazol-2-yl)acetyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 149007716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).