1-amino-2-cyclopropyl-1-(1,3-thiazol-2-yl)propan-2-ol

C9H14N2OS — CID 82398131

IUPAC1-amino-2-cyclopropyl-1-(1,3-thiazol-2-yl)propan-2-ol
SMILESCC(O)(C1CC1)C(N)c1nccs1
InChIInChI=1S/C9H14N2OS/c1-9(12,6-2-3-6)7(10)8-11-4-5-13-8/h4-7,12H,2-3,10H2,1H3
InChIKeyWUVUXTCBZJNURS-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.30
Rot. Bonds3

About 1-amino-2-cyclopropyl-1-(1,3-thiazol-2-yl)propan-2-ol

1-amino-2-cyclopropyl-1-(1,3-thiazol-2-yl)propan-2-ol (PubChem CID 82398131) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-1-(1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-1-(1,3-thiazol-2-yl)propan-2-ol
PubChem CID82398131
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-amino-2-cyclopropyl-1-(1,3-thiazol-2-yl)propan-2-ol
SMILESCC(O)(C1CC1)C(N)c1nccs1
InChIInChI=1S/C9H14N2OS/c1-9(12,6-2-3-6)7(10)8-11-4-5-13-8/h4-7,12H,2-3,10H2,1H3
InChIKeyWUVUXTCBZJNURS-UHFFFAOYSA-N
XLogP1.30
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine
CID 92669809
(1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 22843366
hydroxysulfanyl(1,3-thiazol-2-yl)methanamine
CID 143542329
dicyclopropyl(1,3-thiazol-2-yl)methanamine
CID 130528947
(2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol
CID 96733513
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
(1S,2S,3R)-2-amino-1-(1,3-thiazol-2-yl)butane-1,3-diol
CID 10607650
2-cyclopropyl-2-N-(1,3-thiazol-2-ylmethyl)propane-1,2-diamine;hydrochloride
CID 120966476
(2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid
CID 22823511
1-[1-(1,3-thiazol-2-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 66470148
4-tert-butyl-1-(1,3-thiazol-2-yl)cyclohexan-1-ol
CID 59743902
4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol
CID 96824330

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-1-(1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-amino-2-cyclopropyl-1-(1,3-thiazol-2-yl)propan-2-ol (CID 82398131) is 1-amino-2-cyclopropyl-1-(1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-amino-2-cyclopropyl-1-(1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-amino-2-cyclopropyl-1-(1,3-thiazol-2-yl)propan-2-ol is CC(O)(C1CC1)C(N)c1nccs1.
What is the InChIKey of 1-amino-2-cyclopropyl-1-(1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is WUVUXTCBZJNURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-9(12,6-2-3-6)7(10)8-11-4-5-13-8/h4-7,12H,2-3,10H2,1H3.
What are the key properties of 1-amino-2-cyclopropyl-1-(1,3-thiazol-2-yl)propan-2-ol?
1-amino-2-cyclopropyl-1-(1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 198.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-1-(1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 82398131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).