[2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone

C16H24N6OS — CID 97099997

IUPAC[2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone
SMILESCCNc1nc(C(=O)N2CCC[C@H]2c2nncn2CC(C)C)cs1
InChIInChI=1S/C16H24N6OS/c1-4-17-16-19-12(9-24-16)15(23)22-7-5-6-13(22)14-20-18-10-21(14)8-11(2)3/h9-11,13H,4-8H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyKVXZJOQQFCQHLU-ZDUSSCGKSA-N
MW348.48 g/mol
LogP2.80
Rot. Bonds6

About [2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone

[2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone (PubChem CID 97099997) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is [2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone
PubChem CID97099997
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name[2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone
SMILESCCNc1nc(C(=O)N2CCC[C@H]2c2nncn2CC(C)C)cs1
InChIInChI=1S/C16H24N6OS/c1-4-17-16-19-12(9-24-16)15(23)22-7-5-6-13(22)14-20-18-10-21(14)8-11(2)3/h9-11,13H,4-8H2,1-3H3,(H,17,19)/t13-/m0/s1
InChIKeyKVXZJOQQFCQHLU-ZDUSSCGKSA-N
XLogP2.80
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-ethyl-4-methylthiophen-2-yl)-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone
CID 95632760
N-[2-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide
CID 71874868
N-[2-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]-2-oxoethyl]butanamide
CID 97027190
(2-hydroxy-5-methylphenyl)-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone
CID 97161007
(2S)-2-butylsulfanyl-1-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]propan-1-one
CID 95773931
[(2R,4R)-2,4-dimethylpiperidin-1-yl]-[2-(ethylamino)-1,3-thiazol-4-yl]methanone
CID 136582996
3-(2-methylphenyl)-1-[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]propan-1-one
CID 95981099
[2-(ethylamino)-1,3-thiazol-4-yl]-(9-methyl-3,9-diazabicyclo[3.3.1]nonan-3-yl)methanone
CID 166306966
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 80623651
1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 42813693
3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115395675
N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 136519378

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone (CID 97099997) is [2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone is CCNc1nc(C(=O)N2CCC[C@H]2c2nncn2CC(C)C)cs1.
What is the InChIKey of [2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone?
The InChIKey is KVXZJOQQFCQHLU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-4-17-16-19-12(9-24-16)15(23)22-7-5-6-13(22)14-20-18-10-21(14)8-11(2)3/h9-11,13H,4-8H2,1-3H3,(H,17,19)/t13-/m0/s1.
What are the key properties of [2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone?
[2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone has a molecular weight of 348.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-1,3-thiazol-4-yl]-[(2S)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97099997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).