N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide

C19H26N4O2S — CID 155530106

IUPACN-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc(N2CCN(C)CC2)sc1C(C)C
InChIInChI=1S/C19H26N4O2S/c1-13(2)17-16(18(24)20-14-7-5-6-8-15(14)25-4)21-19(26-17)23-11-9-22(3)10-12-23/h5-8,13H,9-12H2,1-4H3,(H,20,24)
InChIKeyMSVPKQDSKCZHKJ-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.28
Rot. Bonds5

About N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide

N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 155530106) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID155530106
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc(N2CCN(C)CC2)sc1C(C)C
InChIInChI=1S/C19H26N4O2S/c1-13(2)17-16(18(24)20-14-7-5-6-8-15(14)25-4)21-19(26-17)23-11-9-22(3)10-12-23/h5-8,13H,9-12H2,1-4H3,(H,20,24)
InChIKeyMSVPKQDSKCZHKJ-UHFFFAOYSA-N
XLogP3.28
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 155530106) is N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is COc1ccccc1NC(=O)c1nc(N2CCN(C)CC2)sc1C(C)C.
What is the InChIKey of N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is MSVPKQDSKCZHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-13(2)17-16(18(24)20-14-7-5-6-8-15(14)25-4)21-19(26-17)23-11-9-22(3)10-12-23/h5-8,13H,9-12H2,1-4H3,(H,20,24).
What are the key properties of N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155530106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).