4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C13H22N4O2S — CID 114759727

IUPAC4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NCC2(CCO)CC2)s1
InChIInChI=1S/C13H22N4O2S/c1-8(2)16-12-17-10(14)9(20-12)11(19)15-7-13(3-4-13)5-6-18/h8,18H,3-7,14H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyGKRHFFBLJNCQPY-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.44
Rot. Bonds7

About 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 114759727) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID114759727
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NCC2(CCO)CC2)s1
InChIInChI=1S/C13H22N4O2S/c1-8(2)16-12-17-10(14)9(20-12)11(19)15-7-13(3-4-13)5-6-18/h8,18H,3-7,14H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyGKRHFFBLJNCQPY-UHFFFAOYSA-N
XLogP1.44
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 114759729
4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672710
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 114759737
4-amino-N-[2-(carbamoylamino)ethyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672310
4-amino-N-[3-(diethylamino)propyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116668564
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
4-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663859
4-amino-2-(propan-2-ylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672284
4-amino-2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide
CID 116671757
4-amino-N-(2-cyclobutylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116673001
4-amino-N-(3-methylpentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663625
2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672206

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 114759727) is 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)NCC2(CCO)CC2)s1.
What is the InChIKey of 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is GKRHFFBLJNCQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-8(2)16-12-17-10(14)9(20-12)11(19)15-7-13(3-4-13)5-6-18/h8,18H,3-7,14H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.44, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 114759727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).