N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide

C15H17N3O3S — CID 16955471

IUPACN-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)NC3CC3)cs2)cc1OC
InChIInChI=1S/C15H17N3O3S/c1-20-12-6-5-10(7-13(12)21-2)17-15-18-11(8-22-15)14(19)16-9-3-4-9/h5-9H,3-4H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyPUXPDRCGHXCBKI-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.80
Rot. Bonds6

About N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide

N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 16955471) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID16955471
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)NC3CC3)cs2)cc1OC
InChIInChI=1S/C15H17N3O3S/c1-20-12-6-5-10(7-13(12)21-2)17-15-18-11(8-22-15)14(19)16-9-3-4-9/h5-9H,3-4H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyPUXPDRCGHXCBKI-UHFFFAOYSA-N
XLogP2.80
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955474
2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 30860157
N-cyclopropyl-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109319972
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955450
2-(3,4-dimethoxyanilino)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16955410
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16821159
2-(3,4-dimethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 16955399
N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16845047
N-cyclohexyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955034
N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955416
N-cyclopentyl-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109341510
4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 79400359

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide (CID 16955471) is N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)NC3CC3)cs2)cc1OC.
What is the InChIKey of N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is PUXPDRCGHXCBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-20-12-6-5-10(7-13(12)21-2)17-15-18-11(8-22-15)14(19)16-9-3-4-9/h5-9H,3-4H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16955471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).