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

C13H19N5OS — CID 95214612

IUPACN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCCn1ncnc1[C@H](C)NC(=O)c1nc(C(C)C)cs1
InChIInChI=1S/C13H19N5OS/c1-5-18-11(14-7-15-18)9(4)16-12(19)13-17-10(6-20-13)8(2)3/h6-9H,5H2,1-4H3,(H,16,19)/t9-/m0/s1
InChIKeyPMDMUYKHWQIOLO-VIFPVBQESA-N
MW293.40 g/mol
LogP2.37
Rot. Bonds5

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

N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 95214612) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID95214612
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCCn1ncnc1[C@H](C)NC(=O)c1nc(C(C)C)cs1
InChIInChI=1S/C13H19N5OS/c1-5-18-11(14-7-15-18)9(4)16-12(19)13-17-10(6-20-13)8(2)3/h6-9H,5H2,1-4H3,(H,16,19)/t9-/m0/s1
InChIKeyPMDMUYKHWQIOLO-VIFPVBQESA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide with MolForge

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Related Compounds

N-(5-ethyl-1-methyl-1H-1,2,4-triazol-3-yl)-N'-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 46985118
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 71893474
N-(4-tert-butyl-1,3-thiazol-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 80374063
N-[2-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50968656
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 56706870
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 71856667
2-[3-Methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]acetamide
CID 75437941
2-isopropyl-N-[3-(4H-1,2,4-triazol-4-yl)propyl]-1,3-thiazole-4-carboxamide
CID 91837976
3-[4-[(2S)-butan-2-yl]-1,3-thiazol-2-yl]-1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 95899582
1-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 97328688
1-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-1-methyl-3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 100702932
N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 124512508

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 95214612) is N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is CCn1ncnc1[C@H](C)NC(=O)c1nc(C(C)C)cs1.
What is the InChIKey of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is PMDMUYKHWQIOLO-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19N5OS/c1-5-18-11(14-7-15-18)9(4)16-12(19)13-17-10(6-20-13)8(2)3/h6-9H,5H2,1-4H3,(H,16,19)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 2.37, 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-ethyl-1,2,4-triazol-3-yl)ethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 95214612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).