N-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C17H15N3OS2 — CID 99637473

IUPACN-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ccsc2)n1)N(CC1CC1)c1cccnc1
InChIInChI=1S/C17H15N3OS2/c21-17(15-11-23-16(19-15)13-5-7-22-10-13)20(9-12-3-4-12)14-2-1-6-18-8-14/h1-2,5-8,10-12H,3-4,9H2
InChIKeyFEHBSTNBQPGMHI-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.32
Rot. Bonds5

About N-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 99637473) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID99637473
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC NameN-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ccsc2)n1)N(CC1CC1)c1cccnc1
InChIInChI=1S/C17H15N3OS2/c21-17(15-11-23-16(19-15)13-5-7-22-10-13)20(9-12-3-4-12)14-2-1-6-18-8-14/h1-2,5-8,10-12H,3-4,9H2
InChIKeyFEHBSTNBQPGMHI-UHFFFAOYSA-N
XLogP4.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-2-[(2R)-oxolan-2-yl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 97078479
N-(cyclopropylmethyl)-2-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 75383418
N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103280451
N,2-bis(cyclopropylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 91662527
N-(cyclopropylmethyl)-N-pyridin-3-yl-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 154837772
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 134012565
N-(2-cyclopropyl-2-hydroxyethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55170247
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
bis(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 175265157
(3,4-dihydroxypyrrolidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 106671715
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
N-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51230896

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 99637473) is N-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(c1csc(-c2ccsc2)n1)N(CC1CC1)c1cccnc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is FEHBSTNBQPGMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS2/c21-17(15-11-23-16(19-15)13-5-7-22-10-13)20(9-12-3-4-12)14-2-1-6-18-8-14/h1-2,5-8,10-12H,3-4,9H2.
What are the key properties of N-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-pyridin-3-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99637473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).