[2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol

C12H22N2OS — CID 62778308

IUPAC[2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(CC)C(C)C)sc1CO
InChIInChI=1S/C12H22N2OS/c1-5-7-10-11(8-15)16-12(13-10)14(6-2)9(3)4/h9,15H,5-8H2,1-4H3
InChIKeyYCHNUVPSLUGYBU-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.82
Rot. Bonds6

About [2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol

[2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 62778308) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is [2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID62778308
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name[2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(CC)C(C)C)sc1CO
InChIInChI=1S/C12H22N2OS/c1-5-7-10-11(8-15)16-12(13-10)14(6-2)9(3)4/h9,15H,5-8H2,1-4H3
InChIKeyYCHNUVPSLUGYBU-UHFFFAOYSA-N
XLogP2.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-ethyl-N-propan-2-yl-4-propyl-1,3-thiazol-2-amine
CID 62769337
2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 55112748
5-(aminomethyl)-N-propan-2-yl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766923
[2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 102998072
[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 112666546
N,4-diethyl-5-(methylaminomethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62767433
[2-[benzyl(ethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62779815
[2-[ethyl(pyridin-4-ylmethyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62778496
N-ethyl-N-(1-methoxypropan-2-yl)-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 55117369
[2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62780691
[2-(4-ethyl-N-methylanilino)-4-propyl-1,3-thiazol-5-yl]methanol
CID 62780694
[4-ethyl-2-[methyl(pentan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 62780335

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (CID 62778308) is [2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(N(CC)C(C)C)sc1CO.
What is the InChIKey of [2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is YCHNUVPSLUGYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-5-7-10-11(8-15)16-12(13-10)14(6-2)9(3)4/h9,15H,5-8H2,1-4H3.
What are the key properties of [2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
[2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 242.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62778308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).