[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone

C12H20N4O2S — CID 114802978

IUPAC[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCCNc1nc(N)c(C(=O)N2CCC(CCO)C2)s1
InChIInChI=1S/C12H20N4O2S/c1-2-14-12-15-10(13)9(19-12)11(18)16-5-3-8(7-16)4-6-17/h8,17H,2-7,13H2,1H3,(H,14,15)
InChIKeyQYSBYKPVEQIQJP-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.00
Rot. Bonds5

About [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone

[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 114802978) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID114802978
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCCNc1nc(N)c(C(=O)N2CCC(CCO)C2)s1
InChIInChI=1S/C12H20N4O2S/c1-2-14-12-15-10(13)9(19-12)11(18)16-5-3-8(7-16)4-6-17/h8,17H,2-7,13H2,1H3,(H,14,15)
InChIKeyQYSBYKPVEQIQJP-UHFFFAOYSA-N
XLogP1.00
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)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

4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 106174577
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106174581
4-amino-N-ethyl-2-(4-methylpiperidino)-1,3-thiazole-5-carboxamide
CID 50743674
N-Butyl-1-[4-acetamido-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-YL]piperidine-4-carboxamide
CID 53012020
1-[4-(Propanoylamino)-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
CID 95915935
4-amino-2-(4-methylpiperidin-1-yl)-N-propyl-1,3-thiazole-5-carboxamide
CID 98461507
N-[[1-[4-amino-2-(methylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]methyl]acetamide
CID 102737151
[4-Amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102790029
[4-Amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102790030
[4-Amino-2-(propylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102790031
[4-Amino-2-(cyclopropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102790032
[4-Amino-2-(2-methylpropylamino)-1,3-thiazol-5-yl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102790033

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 114802978) is [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is CCNc1nc(N)c(C(=O)N2CCC(CCO)C2)s1.
What is the InChIKey of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is QYSBYKPVEQIQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-14-12-15-10(13)9(19-12)11(18)16-5-3-8(7-16)4-6-17/h8,17H,2-7,13H2,1H3,(H,14,15).
What are the key properties of [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 284.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 114802978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).