N-[5-chloro-2-methyl-3-(piperazin-1-ylmethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide

C17H21ClN4OS — CID 137383850

IUPACN-[5-chloro-2-methyl-3-(piperazin-1-ylmethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(Cl)cc(CN3CCNCC3)c2C)s1
InChIInChI=1S/C17H21ClN4OS/c1-11-13(10-22-5-3-19-4-6-22)7-14(18)8-15(11)21-17(23)16-9-20-12(2)24-16/h7-9,19H,3-6,10H2,1-2H3,(H,21,23)
InChIKeyWXWFXQVQYOIVEL-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.07
Rot. Bonds4

About N-[5-chloro-2-methyl-3-(piperazin-1-ylmethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide

N-[5-chloro-2-methyl-3-(piperazin-1-ylmethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 137383850) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is N-[5-chloro-2-methyl-3-(piperazin-1-ylmethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-methyl-3-(piperazin-1-ylmethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID137383850
Molecular FormulaC17H21ClN4OS
Molecular Weight364.90 g/mol
Exact Mass364.11
IUPAC NameN-[5-chloro-2-methyl-3-(piperazin-1-ylmethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(Cl)cc(CN3CCNCC3)c2C)s1
InChIInChI=1S/C17H21ClN4OS/c1-11-13(10-22-5-3-19-4-6-22)7-14(18)8-15(11)21-17(23)16-9-20-12(2)24-16/h7-9,19H,3-6,10H2,1-2H3,(H,21,23)
InChIKeyWXWFXQVQYOIVEL-UHFFFAOYSA-N
XLogP3.07
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)phenyl]-N-(difluoromethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 68737415
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
2-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-1,3-thiazole-5-carboxamide
CID 56268059
N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 56315542
N-[2-(4-chlorophenyl)-4-fluorophenyl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
CID 86891968
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 110863785
N-(2-chloro-6-methylphenyl)-2-[2-(6-methyl-2-pyridinyl)pyrrol-2-yl]-1,3-thiazole-5-carboxamide
CID 57134090

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-methyl-3-(piperazin-1-ylmethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-2-methyl-3-(piperazin-1-ylmethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 137383850) is N-[5-chloro-2-methyl-3-(piperazin-1-ylmethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-2-methyl-3-(piperazin-1-ylmethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-2-methyl-3-(piperazin-1-ylmethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2cc(Cl)cc(CN3CCNCC3)c2C)s1.
What is the InChIKey of N-[5-chloro-2-methyl-3-(piperazin-1-ylmethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is WXWFXQVQYOIVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4OS/c1-11-13(10-22-5-3-19-4-6-22)7-14(18)8-15(11)21-17(23)16-9-20-12(2)24-16/h7-9,19H,3-6,10H2,1-2H3,(H,21,23).
What are the key properties of N-[5-chloro-2-methyl-3-(piperazin-1-ylmethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[5-chloro-2-methyl-3-(piperazin-1-ylmethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 364.90 g/mol, XLogP of 3.07, 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-(piperazin-1-ylmethyl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 137383850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).