N-(3-chloro-2-propan-2-yloxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C18H17ClN2O2S2 — CID 86970907

IUPACN-(3-chloro-2-propan-2-yloxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(Cl)c1OC(C)C
InChIInChI=1S/C18H17ClN2O2S2/c1-10(2)23-15-13(19)5-4-6-14(15)21-17(22)16-11(3)20-18(25-16)12-7-8-24-9-12/h4-10H,1-3H3,(H,21,22)
InChIKeyRKTDKBWXZNUCQN-UHFFFAOYSA-N
MW392.93 g/mol
LogP5.87
Rot. Bonds5

About N-(3-chloro-2-propan-2-yloxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-(3-chloro-2-propan-2-yloxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 86970907) has the molecular formula C18H17ClN2O2S2 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-(3-chloro-2-propan-2-yloxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-propan-2-yloxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID86970907
Molecular FormulaC18H17ClN2O2S2
Molecular Weight392.93 g/mol
Exact Mass392.04
IUPAC NameN-(3-chloro-2-propan-2-yloxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(Cl)c1OC(C)C
InChIInChI=1S/C18H17ClN2O2S2/c1-10(2)23-15-13(19)5-4-6-14(15)21-17(22)16-11(3)20-18(25-16)12-7-8-24-9-12/h4-10H,1-3H3,(H,21,22)
InChIKeyRKTDKBWXZNUCQN-UHFFFAOYSA-N
XLogP5.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-morpholin-4-ylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 24603945
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
N-(5-chloro-2-hydroxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 56581492
N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17497475
N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 9078887
N-(3-chloro-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 86835066
N-(4-carbamoyl-3-chlorophenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 39170277
4-methyl-N-(3-methylsulfonylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
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[1-(2-methylanilino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxylate
CID 46660296
4-methyl-N-(3-methyl-2-pyridinyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 35033188
4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide
CID 4076042
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-propan-2-yloxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-chloro-2-propan-2-yloxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 86970907) is N-(3-chloro-2-propan-2-yloxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-propan-2-yloxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-propan-2-yloxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(Cl)c1OC(C)C.
What is the InChIKey of N-(3-chloro-2-propan-2-yloxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is RKTDKBWXZNUCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S2/c1-10(2)23-15-13(19)5-4-6-14(15)21-17(22)16-11(3)20-18(25-16)12-7-8-24-9-12/h4-10H,1-3H3,(H,21,22).
What are the key properties of N-(3-chloro-2-propan-2-yloxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-(3-chloro-2-propan-2-yloxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 392.93 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-propan-2-yloxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86970907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).