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

C12H22N2OS — CID 66179606

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCc1nc(NCC(C)(O)CC(C)C)sc1C
InChIInChI=1S/C12H22N2OS/c1-8(2)6-12(5,15)7-13-11-14-9(3)10(4)16-11/h8,15H,6-7H2,1-5H3,(H,13,14)
InChIKeyMNPCZSNZQFNTNK-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.97
Rot. Bonds5

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

1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 66179606) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID66179606
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCc1nc(NCC(C)(O)CC(C)C)sc1C
InChIInChI=1S/C12H22N2OS/c1-8(2)6-12(5,15)7-13-11-14-9(3)10(4)16-11/h8,15H,6-7H2,1-5H3,(H,13,14)
InChIKeyMNPCZSNZQFNTNK-UHFFFAOYSA-N
XLogP2.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106253734
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-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentan-2-ol
CID 115691842
1-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2,4-dimethylpentan-2-ol
CID 66179370
2-[(2-hydroxy-2,4-dimethylpentyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 114093632
2,4-dimethyl-1-[(5-methyl-2-pyridinyl)amino]pentan-2-ol
CID 66178619
1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol
CID 106932260
1-[(5-iodopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 116648440
2-N-(4,5-dimethyl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 65168515
N-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide
CID 66178965
1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80850995

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,4-dimethylpentan-2-ol (CID 66179606) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,4-dimethylpentan-2-ol is Cc1nc(NCC(C)(O)CC(C)C)sc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is MNPCZSNZQFNTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-8(2)6-12(5,15)7-13-11-14-9(3)10(4)16-11/h8,15H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,4-dimethylpentan-2-ol?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 242.39 g/mol, XLogP of 2.97, 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]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66179606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).