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

C13H19N5OS — CID 125436487

IUPACN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1csc(C(C)C)n1)c1ncnn1C
InChIInChI=1S/C13H19N5OS/c1-5-9(11-14-7-15-18(11)4)16-12(19)10-6-20-13(17-10)8(2)3/h6-9H,5H2,1-4H3,(H,16,19)/t9-/m0/s1
InChIKeyBEWSGVKUDRXJHL-VIFPVBQESA-N
MW293.40 g/mol
LogP2.28
Rot. Bonds5

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

N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 125436487) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID125436487
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC[C@H](NC(=O)c1csc(C(C)C)n1)c1ncnn1C
InChIInChI=1S/C13H19N5OS/c1-5-9(11-14-7-15-18(11)4)16-12(19)10-6-20-13(17-10)8(2)3/h6-9H,5H2,1-4H3,(H,16,19)/t9-/m0/s1
InChIKeyBEWSGVKUDRXJHL-VIFPVBQESA-N
XLogP2.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide (CID 125436487) is N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is CC[C@H](NC(=O)c1csc(C(C)C)n1)c1ncnn1C.
What is the InChIKey of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is BEWSGVKUDRXJHL-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N5OS/c1-5-9(11-14-7-15-18(11)4)16-12(19)10-6-20-13(17-10)8(2)3/h6-9H,5H2,1-4H3,(H,16,19)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 125436487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).