1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine

C13H23N3S — CID 82435252

IUPAC1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)c1nc(CN2CCCC2)sc1C(C)N
InChIInChI=1S/C13H23N3S/c1-9(2)12-13(10(3)14)17-11(15-12)8-16-6-4-5-7-16/h9-10H,4-8,14H2,1-3H3
InChIKeyUUKYHGJPCWVJMD-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.88
Rot. Bonds4

About 1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine

1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 82435252) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID82435252
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)c1nc(CN2CCCC2)sc1C(C)N
InChIInChI=1S/C13H23N3S/c1-9(2)12-13(10(3)14)17-11(15-12)8-16-6-4-5-7-16/h9-10H,4-8,14H2,1-3H3
InChIKeyUUKYHGJPCWVJMD-UHFFFAOYSA-N
XLogP2.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-methylpiperazin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82435350
1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine
CID 82435434
1-[2-[(2-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82435273
1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82435460
N-[[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82435229
1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine
CID 82430846
2-[2-(azepan-1-yl)ethyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435508
1-[2-[(4-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine
CID 82433019
1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82434313
[2-(morpholin-4-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82435326
2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435296
1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
CID 82044404

Frequently Asked Questions

What is the IUPAC name of 1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine (CID 82435252) is 1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine is CC(C)c1nc(CN2CCCC2)sc1C(C)N.
What is the InChIKey of 1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is UUKYHGJPCWVJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9(2)12-13(10(3)14)17-11(15-12)8-16-6-4-5-7-16/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82435252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).