(2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol

C7H12N2OS — CID 94578466

IUPAC(2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol
SMILESC[C@@H](CO)NCc1cncs1
InChIInChI=1S/C7H12N2OS/c1-6(4-10)9-3-7-2-8-5-11-7/h2,5-6,9-10H,3-4H2,1H3/t6-/m0/s1
InChIKeyMAIPOWKYXJDUHH-LURJTMIESA-N
MW172.25 g/mol
LogP0.61
Rot. Bonds4

About (2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol

(2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol (PubChem CID 94578466) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is (2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol
PubChem CID94578466
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name(2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol
SMILESC[C@@H](CO)NCc1cncs1
InChIInChI=1S/C7H12N2OS/c1-6(4-10)9-3-7-2-8-5-11-7/h2,5-6,9-10H,3-4H2,1H3/t6-/m0/s1
InChIKeyMAIPOWKYXJDUHH-LURJTMIESA-N
XLogP0.61
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 99841946
Cyclopropyl-thiazol-5-ylmethyl-amine
CID 28064153
2-(2,2-Difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol
CID 169181655
1,1,1-Trifluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 61530214
N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63827313
2-(2,2-difluoroethoxy)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 103081253
1,1-Difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 103731527
3-[(2-Tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731562
3-[(2-Ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103741092
1,1-Difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
CID 103787929
1,1-Difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol
CID 103793274
2-(1,3-Thiazol-5-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 104078114

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol?
The IUPAC name of (2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol (CID 94578466) is (2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol.
What is the SMILES notation for (2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol?
The canonical SMILES for (2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol is C[C@@H](CO)NCc1cncs1.
What is the InChIKey of (2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol?
The InChIKey is MAIPOWKYXJDUHH-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N2OS/c1-6(4-10)9-3-7-2-8-5-11-7/h2,5-6,9-10H,3-4H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol?
(2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol has a molecular weight of 172.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol is sourced from PubChem (CID 94578466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).