[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine

C8H13N3S — CID 18446041

IUPAC[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1nccs1
InChIInChI=1S/C8H13N3S/c9-6-7-2-1-4-11(7)8-10-3-5-12-8/h3,5,7H,1-2,4,6,9H2
InChIKeyDIWJYCFZJBYRAR-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.07
Rot. Bonds2

About [1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine

[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine (PubChem CID 18446041) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is [1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine
PubChem CID18446041
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1c1nccs1
InChIInChI=1S/C8H13N3S/c9-6-7-2-1-4-11(7)8-10-3-5-12-8/h3,5,7H,1-2,4,6,9H2
InChIKeyDIWJYCFZJBYRAR-UHFFFAOYSA-N
XLogP1.07
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-chloropropyl)piperidin-1-yl]-1,3-thiazole
CID 130534134
[(2R,3R)-2-ethyl-1-(1,3-thiazol-2-yl)azepan-3-yl]methanamine
CID 96591866
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propanamide
CID 90619300
[1-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]pyrrolidin-2-yl]methanamine
CID 103279299
(1-thieno[3,2-c]pyridin-4-ylpyrrolidin-2-yl)methanamine
CID 62592284
(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine
CID 62591385
2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619576
N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]butane-1-sulfonamide
CID 90619625
[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-2-yl]methanamine
CID 91812133
5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 90619538
2-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925367
[1-(5-nitro-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine
CID 102771476

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine (CID 18446041) is [1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine is NCC1CCCN1c1nccs1.
What is the InChIKey of [1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is DIWJYCFZJBYRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c9-6-7-2-1-4-11(7)8-10-3-5-12-8/h3,5,7H,1-2,4,6,9H2.
What are the key properties of [1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine?
[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 183.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 18446041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).