2-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine

C8H14N2S — CID 62402703

IUPAC2-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
SMILESCC(C)CNCc1cncs1
InChIInChI=1S/C8H14N2S/c1-7(2)3-9-4-8-5-10-6-11-8/h5-7,9H,3-4H2,1-2H3
InChIKeyXJWMCUSSLRMPTO-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.89
Rot. Bonds4

About 2-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine

2-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine (PubChem CID 62402703) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
PubChem CID62402703
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
SMILESCC(C)CNCc1cncs1
InChIInChI=1S/C8H14N2S/c1-7(2)3-9-4-8-5-10-6-11-8/h5-7,9H,3-4H2,1-2H3
InChIKeyXJWMCUSSLRMPTO-UHFFFAOYSA-N
XLogP1.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine (CID 62402703) is 2-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine is CC(C)CNCc1cncs1.
What is the InChIKey of 2-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
The InChIKey is XJWMCUSSLRMPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-7(2)3-9-4-8-5-10-6-11-8/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 2-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine?
2-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine has a molecular weight of 170.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,3-thiazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 62402703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).