1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol

C10H18N2OS — CID 115691842

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1nc(C)c(C)s1
InChIInChI=1S/C10H18N2OS/c1-4-5-9(13)6-11-10-12-7(2)8(3)14-10/h9,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyTZFCMNOGPBAYLT-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.33
Rot. Bonds5

About 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol

1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol (PubChem CID 115691842) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol
PubChem CID115691842
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1nc(C)c(C)s1
InChIInChI=1S/C10H18N2OS/c1-4-5-9(13)6-11-10-12-7(2)8(3)14-10/h9,13H,4-6H2,1-3H3,(H,11,12)
InChIKeyTZFCMNOGPBAYLT-UHFFFAOYSA-N
XLogP2.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]pentan-2-ol
CID 115643874
1-(1,3-benzothiazol-2-ylamino)pentan-2-ol
CID 115622903
1-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]pentan-2-ol
CID 114383247
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanol
CID 65169269
4,5-dimethyl-N-(2-methylsulfinylpropyl)-1,3-thiazol-2-amine
CID 115764279
1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol
CID 102677492
2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 119269701
2-[[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]methyl]pentanoic acid
CID 65223400
1-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]pentan-2-ol
CID 133342940
4,5-dimethyl-N-[(E)-3-octylundecan-2-ylideneamino]-1,3-thiazol-2-amine
CID 118403524
1-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]pentan-2-ol
CID 113495522
1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 66179606

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol (CID 115691842) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol is CCCC(O)CNc1nc(C)c(C)s1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol?
The InChIKey is TZFCMNOGPBAYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-5-9(13)6-11-10-12-7(2)8(3)14-10/h9,13H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol is sourced from PubChem (CID 115691842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).