4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide

C10H13N5OS — CID 64546330

IUPAC4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C10H13N5OS/c1-7-9(17-6-13-7)10(16)11-4-2-3-8-12-5-14-15-8/h5-6H,2-4H2,1H3,(H,11,16)(H,12,14,15)
InChIKeyUVROFDPDHYVAGQ-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.93
Rot. Bonds5

About 4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 64546330) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide
PubChem CID64546330
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCCCc1ncn[nH]1
InChIInChI=1S/C10H13N5OS/c1-7-9(17-6-13-7)10(16)11-4-2-3-8-12-5-14-15-8/h5-6H,2-4H2,1H3,(H,11,16)(H,12,14,15)
InChIKeyUVROFDPDHYVAGQ-UHFFFAOYSA-N
XLogP0.93
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 64532387
3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]thiophene-2-carboxamide
CID 64518007
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
3,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,2-oxazole-4-carboxamide
CID 64548284
5-chloro-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 115532376
2-amino-3-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64518360
2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64548489
2,3-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 64547511
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64548665
3-amino-2-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64518359
2-chloro-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 106491058
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547519

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide (CID 64546330) is 4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCCCc1ncn[nH]1.
What is the InChIKey of 4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UVROFDPDHYVAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-7-9(17-6-13-7)10(16)11-4-2-3-8-12-5-14-15-8/h5-6H,2-4H2,1H3,(H,11,16)(H,12,14,15).
What are the key properties of 4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 64546330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).