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

C14H24N2OS — CID 62780691

IUPAC[2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(CCC)CC2CC2)sc1CO
InChIInChI=1S/C14H24N2OS/c1-3-5-12-13(10-17)18-14(15-12)16(8-4-2)9-11-6-7-11/h11,17H,3-10H2,1-2H3
InChIKeyJNJRVEKMLHLXSI-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.21
Rot. Bonds8

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

[2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 62780691) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is [2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID62780691
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name[2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N(CCC)CC2CC2)sc1CO
InChIInChI=1S/C14H24N2OS/c1-3-5-12-13(10-17)18-14(15-12)16(8-4-2)9-11-6-7-11/h11,17H,3-10H2,1-2H3
InChIKeyJNJRVEKMLHLXSI-UHFFFAOYSA-N
XLogP3.21
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766838
[2-[3-(diethylamino)propyl-ethylamino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 102998072
5-(ethylaminomethyl)-N,N,4-tripropyl-1,3-thiazol-2-amine
CID 55112998
N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79380658
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methylpropylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 63941083
[2-[methyl-(1-methylpiperidin-3-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62779327
5-(aminomethyl)-N-ethyl-N,4-dipropyl-1,3-thiazol-2-amine
CID 62768644
[2-[ethyl(propan-2-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62778308
2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63938356
1-[2-[cyclopropylmethyl(propyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750125
4-tert-butyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propyl-1,3-thiazol-2-amine
CID 62767699
3-chloro-N-(cyclopropylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 70148079

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol (CID 62780691) is [2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(N(CCC)CC2CC2)sc1CO.
What is the InChIKey of [2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is JNJRVEKMLHLXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-3-5-12-13(10-17)18-14(15-12)16(8-4-2)9-11-6-7-11/h11,17H,3-10H2,1-2H3.
What are the key properties of [2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol?
[2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 268.43 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropylmethyl(propyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62780691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).