2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide

C15H15N5OS2 — CID 166256543

IUPAC2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)Cc1ncc(C(=O)Nc2nnc(-c3ccncc3)s2)s1
InChIInChI=1S/C15H15N5OS2/c1-9(2)7-12-17-8-11(22-12)13(21)18-15-20-19-14(23-15)10-3-5-16-6-4-10/h3-6,8-9H,7H2,1-2H3,(H,18,20,21)
InChIKeyIRUPRNPPFRXZAP-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.51
Rot. Bonds5

About 2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide

2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 166256543) has the molecular formula C15H15N5OS2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID166256543
Molecular FormulaC15H15N5OS2
Molecular Weight345.45 g/mol
Exact Mass345.07
IUPAC Name2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(C)Cc1ncc(C(=O)Nc2nnc(-c3ccncc3)s2)s1
InChIInChI=1S/C15H15N5OS2/c1-9(2)7-12-17-8-11(22-12)13(21)18-15-20-19-14(23-15)10-3-5-16-6-4-10/h3-6,8-9H,7H2,1-2H3,(H,18,20,21)
InChIKeyIRUPRNPPFRXZAP-UHFFFAOYSA-N
XLogP3.51
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 53369542
2-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 47426169
4-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 155567708
4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 155924872
2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 695206
2-chloro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 141226411
2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide
CID 146104224
5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 47114781
N-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119585732
2-chloro-2-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 167882589
4-heptoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 101189422
5-carbamothioyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 106261329

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 166256543) is 2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is CC(C)Cc1ncc(C(=O)Nc2nnc(-c3ccncc3)s2)s1.
What is the InChIKey of 2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is IRUPRNPPFRXZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS2/c1-9(2)7-12-17-8-11(22-12)13(21)18-15-20-19-14(23-15)10-3-5-16-6-4-10/h3-6,8-9H,7H2,1-2H3,(H,18,20,21).
What are the key properties of 2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166256543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).