3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine

C13H23N3S — CID 61171195

IUPAC3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCC(C)C(CNCc1cscn1)N1CCCC1
InChIInChI=1S/C13H23N3S/c1-11(2)13(16-5-3-4-6-16)8-14-7-12-9-17-10-15-12/h9-11,13-14H,3-8H2,1-2H3
InChIKeyNGGKVKKJLXIXME-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.35
Rot. Bonds6

About 3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine

3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine (PubChem CID 61171195) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
PubChem CID61171195
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
SMILESCC(C)C(CNCc1cscn1)N1CCCC1
InChIInChI=1S/C13H23N3S/c1-11(2)13(16-5-3-4-6-16)8-14-7-12-9-17-10-15-12/h9-11,13-14H,3-8H2,1-2H3
InChIKeyNGGKVKKJLXIXME-UHFFFAOYSA-N
XLogP2.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 78968604
2-methyl-3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61222270
2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696393
N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 63049087
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 54883565
1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine
CID 63826089
3-methyl-2-phenyl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine
CID 103624008
1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 63826093
3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine
CID 63001465
2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78914468
1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol
CID 111425443
1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone
CID 115590354

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The IUPAC name of 3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine (CID 61171195) is 3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The canonical SMILES for 3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine is CC(C)C(CNCc1cscn1)N1CCCC1.
What is the InChIKey of 3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine?
The InChIKey is NGGKVKKJLXIXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11(2)13(16-5-3-4-6-16)8-14-7-12-9-17-10-15-12/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine?
3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 61171195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).