N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide

C18H23ClN4OS — CID 118550218

IUPACN-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(Cl)cc(CN3CCN[C@@H](C)C3)c2C)s1
InChIInChI=1S/C18H23ClN4OS/c1-11-9-23(5-4-20-11)10-14-6-15(19)7-16(12(14)2)22-18(24)17-8-21-13(3)25-17/h6-8,11,20H,4-5,9-10H2,1-3H3,(H,22,24)/t11-/m0/s1
InChIKeyOZSCORFOBMVEBO-NSHDSACASA-N
MW378.93 g/mol
LogP3.46
Rot. Bonds4

About N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide

N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 118550218) has the molecular formula C18H23ClN4OS and a molecular weight of 378.93 g/mol. Its IUPAC name is N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID118550218
Molecular FormulaC18H23ClN4OS
Molecular Weight378.93 g/mol
Exact Mass378.13
IUPAC NameN-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(Cl)cc(CN3CCN[C@@H](C)C3)c2C)s1
InChIInChI=1S/C18H23ClN4OS/c1-11-9-23(5-4-20-11)10-14-6-15(19)7-16(12(14)2)22-18(24)17-8-21-13(3)25-17/h6-8,11,20H,4-5,9-10H2,1-3H3,(H,22,24)/t11-/m0/s1
InChIKeyOZSCORFOBMVEBO-NSHDSACASA-N
XLogP3.46
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 90204269
N-[3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 118452389
N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 126711822
N-[2-(4-chloro-3-fluorophenyl)phenyl]-1,3-thiazole-5-carboxamide
CID 141183960
N-[2-(4-chloro-3-fluorophenyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 141187663
N-[(1R)-1-[5-[5-chloro-2-(methylaminomethyl)phenyl]-1,3-thiazol-2-yl]ethyl]-1-(2-fluorophenyl)-6-oxopyridine-3-carboxamide
CID 167473479
N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 56315542
N-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide
CID 57134090
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 86287900
5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 86288040
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[[6-methyl-4-oxo-2-(1,3-thiazol-5-yl)-1H-pyridin-3-yl]methyl]benzamide
CID 90252880
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[[6-methyl-4-oxo-2-(1,3-thiazol-2-yl)-1H-pyridin-3-yl]methyl]benzamide
CID 90252890

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 118550218) is N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2cc(Cl)cc(CN3CCN[C@@H](C)C3)c2C)s1.
What is the InChIKey of N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OZSCORFOBMVEBO-NSHDSACASA-N. The full InChI is InChI=1S/C18H23ClN4OS/c1-11-9-23(5-4-20-11)10-14-6-15(19)7-16(12(14)2)22-18(24)17-8-21-13(3)25-17/h6-8,11,20H,4-5,9-10H2,1-3H3,(H,22,24)/t11-/m0/s1.
What are the key properties of N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 378.93 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-methyl-3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118550218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).