N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide

C11H13N3OS2 — CID 110462196

IUPACN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCc1csc(CCCNC(=O)c2cscn2)n1
InChIInChI=1S/C11H13N3OS2/c1-8-5-17-10(14-8)3-2-4-12-11(15)9-6-16-7-13-9/h5-7H,2-4H2,1H3,(H,12,15)
InChIKeyLJYKCEYOWZFKIS-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.27
Rot. Bonds5

About N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide

N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 110462196) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID110462196
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC NameN-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCc1csc(CCCNC(=O)c2cscn2)n1
InChIInChI=1S/C11H13N3OS2/c1-8-5-17-10(14-8)3-2-4-12-11(15)9-6-16-7-13-9/h5-7H,2-4H2,1H3,(H,12,15)
InChIKeyLJYKCEYOWZFKIS-UHFFFAOYSA-N
XLogP2.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
CID 118796056
2-(2-aminoethyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1,3-thiazole-4-carboxamide
CID 120646096
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70770649
N-butyl-1,3-thiazole-4-carboxamide;ethane
CID 176555037
N-pentyl-1,3-thiazole-4-carboxamide
CID 62045475
N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide
CID 84557796
2-benzyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 70713753
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971
4-(aminomethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 82546122
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
N-(4-bromobutyl)-1,3-thiazole-4-carboxamide
CID 106845763
3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 118762993

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide (CID 110462196) is N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide is Cc1csc(CCCNC(=O)c2cscn2)n1.
What is the InChIKey of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LJYKCEYOWZFKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-8-5-17-10(14-8)3-2-4-12-11(15)9-6-16-7-13-9/h5-7H,2-4H2,1H3,(H,12,15).
What are the key properties of N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110462196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).