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

C19H25FN4OS — CID 155537431

IUPACN-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1nc(N2CCN(C)CC2)sc1C(C)C
InChIInChI=1S/C19H25FN4OS/c1-12(2)17-16(18(25)21-15-6-5-14(20)11-13(15)3)22-19(26-17)24-9-7-23(4)8-10-24/h5-6,11-12H,7-10H2,1-4H3,(H,21,25)
InChIKeyYMFJHHFLHRKODJ-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.72
Rot. Bonds4

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

N-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 155537431) has the molecular formula C19H25FN4OS and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID155537431
Molecular FormulaC19H25FN4OS
Molecular Weight376.50 g/mol
Exact Mass376.17
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1nc(N2CCN(C)CC2)sc1C(C)C
InChIInChI=1S/C19H25FN4OS/c1-12(2)17-16(18(25)21-15-6-5-14(20)11-13(15)3)22-19(26-17)24-9-7-23(4)8-10-24/h5-6,11-12H,7-10H2,1-4H3,(H,21,25)
InChIKeyYMFJHHFLHRKODJ-UHFFFAOYSA-N
XLogP3.72
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 155537431) is N-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is Cc1cc(F)ccc1NC(=O)c1nc(N2CCN(C)CC2)sc1C(C)C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is YMFJHHFLHRKODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4OS/c1-12(2)17-16(18(25)21-15-6-5-14(20)11-13(15)3)22-19(26-17)24-9-7-23(4)8-10-24/h5-6,11-12H,7-10H2,1-4H3,(H,21,25).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155537431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).