1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol

C11H19N3O2S — CID 103361842

IUPAC1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1snc(N)c1C1CC1
InChIInChI=1S/C11H19N3O2S/c1-14(5-8(15)6-16-2)11-9(7-3-4-7)10(12)13-17-11/h7-8,15H,3-6H2,1-2H3,(H2,12,13)
InChIKeyQPIZVLSFLNHNIH-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.05
Rot. Bonds6

About 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol

1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 103361842) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
PubChem CID103361842
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1snc(N)c1C1CC1
InChIInChI=1S/C11H19N3O2S/c1-14(5-8(15)6-16-2)11-9(7-3-4-7)10(12)13-17-11/h7-8,15H,3-6H2,1-2H3,(H2,12,13)
InChIKeyQPIZVLSFLNHNIH-UHFFFAOYSA-N
XLogP1.05
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol 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-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine
CID 103361797
1-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
CID 65275225
1-[(3-amino-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol
CID 103361844
4-cyclopropyl-5-N-methyl-5-N-(2-methylbutan-2-yl)-1,2-thiazole-3,5-diamine
CID 103363057
1-[(2-aminopyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 80811340
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62016177
1-[(5-amino-6-methoxy-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 54993621
methyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103379639
1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 63676060
1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol
CID 114281243
5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365691
1-(4-amino-2,6-difluoro-N-methylanilino)-3-methoxypropan-2-ol
CID 54993188

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol (CID 103361842) is 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1snc(N)c1C1CC1.
What is the InChIKey of 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is QPIZVLSFLNHNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-14(5-8(15)6-16-2)11-9(7-3-4-7)10(12)13-17-11/h7-8,15H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol?
1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 257.36 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 103361842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).