5-chloro-N-[[2-[4-(2-methylimidazolidin-2-yl)phenyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide

C19H19ClN4OS2 — CID 69252197

IUPAC5-chloro-N-[[2-[4-(2-methylimidazolidin-2-yl)phenyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCC1(c2ccc(-c3nc(CNC(=O)c4ccc(Cl)s4)cs3)cc2)NCCN1
InChIInChI=1S/C19H19ClN4OS2/c1-19(22-8-9-23-19)13-4-2-12(3-5-13)18-24-14(11-26-18)10-21-17(25)15-6-7-16(20)27-15/h2-7,11,22-23H,8-10H2,1H3,(H,21,25)
InChIKeyAPWVMMWKNNAVNI-UHFFFAOYSA-N
MW418.98 g/mol
LogP3.82
Rot. Bonds5

About 5-chloro-N-[[2-[4-(2-methylimidazolidin-2-yl)phenyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[2-[4-(2-methylimidazolidin-2-yl)phenyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 69252197) has the molecular formula C19H19ClN4OS2 and a molecular weight of 418.98 g/mol. Its IUPAC name is 5-chloro-N-[[2-[4-(2-methylimidazolidin-2-yl)phenyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[2-[4-(2-methylimidazolidin-2-yl)phenyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide
PubChem CID69252197
Molecular FormulaC19H19ClN4OS2
Molecular Weight418.98 g/mol
Exact Mass418.07
IUPAC Name5-chloro-N-[[2-[4-(2-methylimidazolidin-2-yl)phenyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide
SMILESCC1(c2ccc(-c3nc(CNC(=O)c4ccc(Cl)s4)cs3)cc2)NCCN1
InChIInChI=1S/C19H19ClN4OS2/c1-19(22-8-9-23-19)13-4-2-12(3-5-13)18-24-14(11-26-18)10-21-17(25)15-6-7-16(20)27-15/h2-7,11,22-23H,8-10H2,1H3,(H,21,25)
InChIKeyAPWVMMWKNNAVNI-UHFFFAOYSA-N
XLogP3.82
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.98
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-ethyl-1-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrazole-5-carboxamide
CID 141476995
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2,2-dimethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
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1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
N-[(4-aminophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62278190
N-[(4-bromophenyl)methyl]-5-chlorothiophene-2-carboxamide
CID 62276684
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide
CID 91888242
4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 24668930
3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613096
N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 75375278

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-[4-(2-methylimidazolidin-2-yl)phenyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[2-[4-(2-methylimidazolidin-2-yl)phenyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide (CID 69252197) is 5-chloro-N-[[2-[4-(2-methylimidazolidin-2-yl)phenyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[2-[4-(2-methylimidazolidin-2-yl)phenyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[2-[4-(2-methylimidazolidin-2-yl)phenyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide is CC1(c2ccc(-c3nc(CNC(=O)c4ccc(Cl)s4)cs3)cc2)NCCN1.
What is the InChIKey of 5-chloro-N-[[2-[4-(2-methylimidazolidin-2-yl)phenyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is APWVMMWKNNAVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS2/c1-19(22-8-9-23-19)13-4-2-12(3-5-13)18-24-14(11-26-18)10-21-17(25)15-6-7-16(20)27-15/h2-7,11,22-23H,8-10H2,1H3,(H,21,25).
What are the key properties of 5-chloro-N-[[2-[4-(2-methylimidazolidin-2-yl)phenyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[2-[4-(2-methylimidazolidin-2-yl)phenyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 418.98 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-[4-(2-methylimidazolidin-2-yl)phenyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 69252197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).