(2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol

C10H18N2OS — CID 94578982

IUPAC(2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol
SMILESCC(C)C[C@H](CO)NCc1cncs1
InChIInChI=1S/C10H18N2OS/c1-8(2)3-9(6-13)12-5-10-4-11-7-14-10/h4,7-9,12-13H,3,5-6H2,1-2H3/t9-/m1/s1
InChIKeyLSJBADKATIADFH-SECBINFHSA-N
MW214.33 g/mol
LogP1.64
Rot. Bonds6

About (2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol

(2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol (PubChem CID 94578982) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is (2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name(2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol
PubChem CID94578982
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name(2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol
SMILESCC(C)C[C@H](CO)NCc1cncs1
InChIInChI=1S/C10H18N2OS/c1-8(2)3-9(6-13)12-5-10-4-11-7-14-10/h4,7-9,12-13H,3,5-6H2,1-2H3/t9-/m1/s1
InChIKeyLSJBADKATIADFH-SECBINFHSA-N
XLogP1.64
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Cyclohexyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 75436021
[(1R,4S)-4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclopent-2-en-1-yl]methanol
CID 71916113
2-[(2-Cyclobutyl-1,3-thiazol-5-yl)methylamino]-3-methylpentan-1-ol
CID 75513023
(2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 99841946
3-((((2-(Tert-butyl)thiazol-5-yl)methyl)amino)methyl)pentan-1-ol
CID 71683381
2-[(2-Methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60941778
2-[(Thiazol-5-ylmethyl)-amino]-ethanol
CID 62760168
2-[(2-Tert-butyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 63120672
4-{[(1,3-Thiazol-5-yl)methyl]amino}butan-2-ol
CID 64913023
1-(1,3-Thiazol-5-ylmethylamino)butan-2-ol
CID 116237966
2-[(2-Methoxy-1,3-thiazol-5-yl)methylamino]ethanol
CID 16494803
N-[(2-ethoxy-1,3-thiazol-5-yl)methyl]pentan-3-amine
CID 16494835

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol?
The IUPAC name of (2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol (CID 94578982) is (2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol.
What is the SMILES notation for (2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol?
The canonical SMILES for (2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol is CC(C)C[C@H](CO)NCc1cncs1.
What is the InChIKey of (2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol?
The InChIKey is LSJBADKATIADFH-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8(2)3-9(6-13)12-5-10-4-11-7-14-10/h4,7-9,12-13H,3,5-6H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol?
(2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(1,3-thiazol-5-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 94578982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).