6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine

C13H18N4S — CID 103937223

IUPAC6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
SMILESCC[C@H](N)c1ccc(N(C)Cc2cscn2)cn1
InChIInChI=1S/C13H18N4S/c1-3-12(14)13-5-4-11(6-15-13)17(2)7-10-8-18-9-16-10/h4-6,8-9,12H,3,7,14H2,1-2H3/t12-/m0/s1
InChIKeySCHXOSJLQXUMQA-LBPRGKRZSA-N
MW262.38 g/mol
LogP2.58
Rot. Bonds5

About 6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine

6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine (PubChem CID 103937223) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
PubChem CID103937223
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
SMILESCC[C@H](N)c1ccc(N(C)Cc2cscn2)cn1
InChIInChI=1S/C13H18N4S/c1-3-12(14)13-5-4-11(6-15-13)17(2)7-10-8-18-9-16-10/h4-6,8-9,12H,3,7,14H2,1-2H3/t12-/m0/s1
InChIKeySCHXOSJLQXUMQA-LBPRGKRZSA-N
XLogP2.58
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[5-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]ethanol
CID 83132151
N-methyl-6-[1-(methylamino)ethyl]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 83122521
6-[(1S)-1-aminopropyl]-N-methyl-N-propylpyridin-3-amine
CID 103936975
4-[(1R)-1-aminoethyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 55189964
2-[(1R)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 103958767
6-(1-aminopropyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-3-amine
CID 112584377
6-[(1S)-1-aminopropyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 103937054
6-[(1S)-1-aminopropyl]-N-[(2-bromophenyl)methyl]-N-methylpyridin-3-amine
CID 103937072
6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine
CID 112584270
6-[(1R)-1-aminopropyl]-N-(cyclopropylmethyl)-N-methylpyridin-3-amine
CID 103937043
4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 91268064
6-[(1R)-1-aminopropyl]-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-3-amine
CID 103937486

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine (CID 103937223) is 6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine is CC[C@H](N)c1ccc(N(C)Cc2cscn2)cn1.
What is the InChIKey of 6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
The InChIKey is SCHXOSJLQXUMQA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-12(14)13-5-4-11(6-15-13)17(2)7-10-8-18-9-16-10/h4-6,8-9,12H,3,7,14H2,1-2H3/t12-/m0/s1.
What are the key properties of 6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine?
6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine has a molecular weight of 262.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminopropyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 103937223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).