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

C13H16N2OS — CID 141197141

IUPAC2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol
SMILESCC(C)(CO)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H16N2OS/c1-13(2,9-16)15-12-14-11(8-17-12)10-6-4-3-5-7-10/h3-8,16H,9H2,1-2H3,(H,14,15)
InChIKeyYGPNWKXBFJPVPP-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.99
Rot. Bonds4

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

2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol (PubChem CID 141197141) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol
PubChem CID141197141
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol
SMILESCC(C)(CO)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H16N2OS/c1-13(2,9-16)15-12-14-11(8-17-12)10-6-4-3-5-7-10/h3-8,16H,9H2,1-2H3,(H,14,15)
InChIKeyYGPNWKXBFJPVPP-UHFFFAOYSA-N
XLogP2.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol
CID 87617935
2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942
2-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]propan-1-ol
CID 43500206
N-ethyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetamide
CID 86802898
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133371204
N-tert-butyl-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 60642064
tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate
CID 89465893
(2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol
CID 59364038
2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 43627750
(4-phenyl-1,3-thiazol-2-yl)thiourea
CID 799782
N-tert-butyl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 62942552

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol (CID 141197141) is 2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol is CC(C)(CO)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol?
The InChIKey is YGPNWKXBFJPVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-13(2,9-16)15-12-14-11(8-17-12)10-6-4-3-5-7-10/h3-8,16H,9H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol?
2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol has a molecular weight of 248.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol is sourced from PubChem (CID 141197141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).