N-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)thiadiazole-4-carboxamide

C10H12N4OS2 — CID 3602511

IUPACN-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)thiadiazole-4-carboxamide
SMILESCC(C)N(Cc1nccs1)C(=O)c1csnn1
InChIInChI=1S/C10H12N4OS2/c1-7(2)14(5-9-11-3-4-16-9)10(15)8-6-17-13-12-8/h3-4,6-7H,5H2,1-2H3
InChIKeySRWKRJDPRDKQQJ-UHFFFAOYSA-N
MW268.37 g/mol
LogP2.05
Rot. Bonds4

About N-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)thiadiazole-4-carboxamide

N-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)thiadiazole-4-carboxamide (PubChem CID 3602511) has the molecular formula C10H12N4OS2 and a molecular weight of 268.37 g/mol. Its IUPAC name is N-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)thiadiazole-4-carboxamide
PubChem CID3602511
Molecular FormulaC10H12N4OS2
Molecular Weight268.37 g/mol
Exact Mass268.05
IUPAC NameN-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)thiadiazole-4-carboxamide
SMILESCC(C)N(Cc1nccs1)C(=O)c1csnn1
InChIInChI=1S/C10H12N4OS2/c1-7(2)14(5-9-11-3-4-16-9)10(15)8-6-17-13-12-8/h3-4,6-7H,5H2,1-2H3
InChIKeySRWKRJDPRDKQQJ-UHFFFAOYSA-N
XLogP2.05
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-aminophenyl)methyl]-N-propan-2-ylthiadiazole-4-carboxamide
CID 65214123
N-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide
CID 62866184
N,N-diethylthiadiazole-4-carboxamide
CID 60757863
(2S)-3-methyl-2-(1,3-thiazol-2-ylmethylcarbamoylamino)butanoic acid
CID 54963020
N,N-bis(2-hydroxyethyl)thiadiazole-4-carboxamide
CID 65216327
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-ynamide
CID 130614901
N-cyclopropyl-6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 135106664
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methylbutyl)thiadiazole-4-carboxamide
CID 3219349
N-cyclopropyl-4-(6-methoxypyridazin-3-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 119074347
N-ethyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide
CID 61067354
N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-4-carboxamide
CID 102914856

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)thiadiazole-4-carboxamide?
The IUPAC name of N-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)thiadiazole-4-carboxamide (CID 3602511) is N-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)thiadiazole-4-carboxamide is CC(C)N(Cc1nccs1)C(=O)c1csnn1.
What is the InChIKey of N-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)thiadiazole-4-carboxamide?
The InChIKey is SRWKRJDPRDKQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS2/c1-7(2)14(5-9-11-3-4-16-9)10(15)8-6-17-13-12-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)thiadiazole-4-carboxamide?
N-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)thiadiazole-4-carboxamide has a molecular weight of 268.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 3602511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).