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

C9H9ClN4OS2 — CID 80626040

IUPAC5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ncc(CN(C)C(=O)c2nnc(Cl)s2)s1
InChIInChI=1S/C9H9ClN4OS2/c1-5-11-3-6(16-5)4-14(2)8(15)7-12-13-9(10)17-7/h3H,4H2,1-2H3
InChIKeySNAIHYJYMOZKOV-UHFFFAOYSA-N
MW288.79 g/mol
LogP2.23
Rot. Bonds3

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

5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80626040) has the molecular formula C9H9ClN4OS2 and a molecular weight of 288.79 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80626040
Molecular FormulaC9H9ClN4OS2
Molecular Weight288.79 g/mol
Exact Mass287.99
IUPAC Name5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ncc(CN(C)C(=O)c2nnc(Cl)s2)s1
InChIInChI=1S/C9H9ClN4OS2/c1-5-11-3-6(16-5)4-14(2)8(15)7-12-13-9(10)17-7/h3H,4H2,1-2H3
InChIKeySNAIHYJYMOZKOV-UHFFFAOYSA-N
XLogP2.23
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 136540322
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 45833865
2-[(2-Chloro-1,3-thiazol-5-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 79765475
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2H-tetrazole-5-carboxamide
CID 80369963
5-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616024
5-(methylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616108
5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619542
5-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 104213250
5-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 105908759
5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 105908858
5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 113387177
5-chloro-N-(1,3-thiazol-5-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 116384911

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80626040) is 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is Cc1ncc(CN(C)C(=O)c2nnc(Cl)s2)s1.
What is the InChIKey of 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SNAIHYJYMOZKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4OS2/c1-5-11-3-6(16-5)4-14(2)8(15)7-12-13-9(10)17-7/h3H,4H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 288.79 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80626040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).