2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol

C11H14N2OS2 — CID 170892793

IUPAC2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol
SMILESCc1nc(-c2ccc(CC(N)CO)s2)cs1
InChIInChI=1S/C11H14N2OS2/c1-7-13-10(6-15-7)11-3-2-9(16-11)4-8(12)5-14/h2-3,6,8,14H,4-5,12H2,1H3
InChIKeyZBSDFJDKVHHIMQ-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.04
Rot. Bonds4

About 2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol

2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol (PubChem CID 170892793) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol
PubChem CID170892793
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol
SMILESCc1nc(-c2ccc(CC(N)CO)s2)cs1
InChIInChI=1S/C11H14N2OS2/c1-7-13-10(6-15-7)11-3-2-9(16-11)4-8(12)5-14/h2-3,6,8,14H,4-5,12H2,1H3
InChIKeyZBSDFJDKVHHIMQ-UHFFFAOYSA-N
XLogP2.04
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol
CID 170875141
(2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide
CID 119696599
1-[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 62653042
2-amino-2-(4-methylphenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 120666877
2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride
CID 119696612
2-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119275088
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
ethyl [4-[5-(hydroxymethyl)thiophen-2-yl]-1,3-thiazol-2-yl]sulfanylformate
CID 11833545
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 8940367
2-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 47014812
2-methyl-3-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide;hydrochloride
CID 119696604
2-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 119696595

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol?
The IUPAC name of 2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol (CID 170892793) is 2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol?
The canonical SMILES for 2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol is Cc1nc(-c2ccc(CC(N)CO)s2)cs1.
What is the InChIKey of 2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol?
The InChIKey is ZBSDFJDKVHHIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-7-13-10(6-15-7)11-3-2-9(16-11)4-8(12)5-14/h2-3,6,8,14H,4-5,12H2,1H3.
What are the key properties of 2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol?
2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol has a molecular weight of 254.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol is sourced from PubChem (CID 170892793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).