1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine

C9H15N3S — CID 63006342

IUPAC1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNCC2CCNC2)n1
InChIInChI=1S/C9H15N3S/c1-2-10-5-8(1)6-11-7-9-12-3-4-13-9/h3-4,8,10-11H,1-2,5-7H2
InChIKeyZHVASAJUBRXCEK-UHFFFAOYSA-N
MW197.31 g/mol
LogP0.84
Rot. Bonds4

About 1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine

1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 63006342) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID63006342
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNCC2CCNC2)n1
InChIInChI=1S/C9H15N3S/c1-2-10-5-8(1)6-11-7-9-12-3-4-13-9/h3-4,8,10-11H,1-2,5-7H2
InChIKeyZHVASAJUBRXCEK-UHFFFAOYSA-N
XLogP0.84
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 155973425
N-[[(3S)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 96996514
4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125249
[4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine
CID 79533036
(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94916816
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
2-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 63240285
1-(oxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284247
N-[(5-methylthiophen-2-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 63006349
N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine
CID 71637319
2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole
CID 114510643
N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208851

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 63006342) is 1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine is c1csc(CNCC2CCNC2)n1.
What is the InChIKey of 1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is ZHVASAJUBRXCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-2-10-5-8(1)6-11-7-9-12-3-4-13-9/h3-4,8,10-11H,1-2,5-7H2.
What are the key properties of 1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 197.31 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-yl-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 63006342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).