4-methyl-1-(1,2-thiazol-3-yl)pentan-1-amine

C9H16N2S — CID 82406423

IUPAC4-methyl-1-(1,2-thiazol-3-yl)pentan-1-amine
SMILESCC(C)CCC(N)c1ccsn1
InChIInChI=1S/C9H16N2S/c1-7(2)3-4-8(10)9-5-6-12-11-9/h5-8H,3-4,10H2,1-2H3
InChIKeyUNVKJGQSAYZFKJ-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.58
Rot. Bonds4

About 4-methyl-1-(1,2-thiazol-3-yl)pentan-1-amine

4-methyl-1-(1,2-thiazol-3-yl)pentan-1-amine (PubChem CID 82406423) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 4-methyl-1-(1,2-thiazol-3-yl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(1,2-thiazol-3-yl)pentan-1-amine
PubChem CID82406423
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name4-methyl-1-(1,2-thiazol-3-yl)pentan-1-amine
SMILESCC(C)CCC(N)c1ccsn1
InChIInChI=1S/C9H16N2S/c1-7(2)3-4-8(10)9-5-6-12-11-9/h5-8H,3-4,10H2,1-2H3
InChIKeyUNVKJGQSAYZFKJ-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluoro-4-(1,2-thiazol-3-yl)cyclohexan-1-amine
CID 126985698
4-Fluoro-2-methyl-4-(1,2-thiazol-3-yl)butan-2-amine
CID 127004475
(3,3-Difluorocyclopentyl)-(1,2-thiazol-3-yl)methanamine
CID 130604829
3-Fluoro-3-(1,2-thiazol-3-yl)cyclohexan-1-amine
CID 130706404
3-Fluoro-2-methyl-3-(1,2-thiazol-3-yl)propan-1-amine
CID 130969790
(2-Fluoro-1-methylcyclopropyl)-(1,2-thiazol-3-yl)methanamine
CID 131003034
1-(3,3-difluorocyclobutyl)-N-methyl-1-(1,2-thiazol-3-yl)methanamine
CID 131007624
[(3,3-Difluorocyclobutyl)-(1,2-thiazol-3-yl)methyl]hydrazine
CID 131137810
2-Fluoro-2-(1,2-thiazol-3-yl)butan-1-amine
CID 133630044
3-Fluoro-3-(1,2-thiazol-3-yl)butan-2-amine
CID 133677658
4-(1,2-Thiazol-3-yl)butan-1-amine
CID 21518532
(5-Propan-2-yl-1,2-thiazol-3-yl)methanamine
CID 57585801

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,2-thiazol-3-yl)pentan-1-amine?
The IUPAC name of 4-methyl-1-(1,2-thiazol-3-yl)pentan-1-amine (CID 82406423) is 4-methyl-1-(1,2-thiazol-3-yl)pentan-1-amine.
What is the SMILES notation for 4-methyl-1-(1,2-thiazol-3-yl)pentan-1-amine?
The canonical SMILES for 4-methyl-1-(1,2-thiazol-3-yl)pentan-1-amine is CC(C)CCC(N)c1ccsn1.
What is the InChIKey of 4-methyl-1-(1,2-thiazol-3-yl)pentan-1-amine?
The InChIKey is UNVKJGQSAYZFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-7(2)3-4-8(10)9-5-6-12-11-9/h5-8H,3-4,10H2,1-2H3.
What are the key properties of 4-methyl-1-(1,2-thiazol-3-yl)pentan-1-amine?
4-methyl-1-(1,2-thiazol-3-yl)pentan-1-amine has a molecular weight of 184.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,2-thiazol-3-yl)pentan-1-amine is sourced from PubChem (CID 82406423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).