[2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine

C9H15N3S — CID 62752011

IUPAC[2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC1CCCN1c1ncc(CN)s1
InChIInChI=1S/C9H15N3S/c1-7-3-2-4-12(7)9-11-6-8(5-10)13-9/h6-7H,2-5,10H2,1H3
InChIKeyNPRNQNHIVYRXRX-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.59
Rot. Bonds2

About [2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine

[2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 62752011) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is [2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID62752011
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name[2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC1CCCN1c1ncc(CN)s1
InChIInChI=1S/C9H15N3S/c1-7-3-2-4-12(7)9-11-6-8(5-10)13-9/h6-7H,2-5,10H2,1H3
InChIKeyNPRNQNHIVYRXRX-UHFFFAOYSA-N
XLogP1.59
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 104692480
5-bromo-2-(2-methylpyrrolidin-1-yl)-1,3-thiazole
CID 79035369
[2-(azetidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 130548481
[4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62765484
[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62752644
2-(2-methylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757246
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62755147
[2-(4,4-dimethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 65287071
4-[5-(aminomethyl)-1,3-thiazol-2-yl]-3-ethylpiperazin-2-one
CID 63602619
2-(2-methylpiperidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
CID 66521513
[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 64581617
[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62750144

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 62752011) is [2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine is CC1CCCN1c1ncc(CN)s1.
What is the InChIKey of [2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is NPRNQNHIVYRXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-3-2-4-12(7)9-11-6-8(5-10)13-9/h6-7H,2-5,10H2,1H3.
What are the key properties of [2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
[2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 197.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62752011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).