3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine

C11H13N3S — CID 115092126

IUPAC3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine
SMILESNCCCc1cnc(-c2ccncc2)s1
InChIInChI=1S/C11H13N3S/c12-5-1-2-10-8-14-11(15-10)9-3-6-13-7-4-9/h3-4,6-8H,1-2,5,12H2
InChIKeyUUCXGYSGVRNCKH-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.10
Rot. Bonds4

About 3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine

3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 115092126) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID115092126
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine
SMILESNCCCc1cnc(-c2ccncc2)s1
InChIInChI=1S/C11H13N3S/c12-5-1-2-10-8-14-11(15-10)9-3-6-13-7-4-9/h3-4,6-8H,1-2,5,12H2
InChIKeyUUCXGYSGVRNCKH-UHFFFAOYSA-N
XLogP2.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-pyridin-3-yl-1,3-thiazol-5-yl)butan-1-amine
CID 11557701
5-ethyl-2-pyridin-4-yl-1,3-thiazole
CID 59113493
5-butyl-2-phenyl-1,3-thiazole
CID 67548106
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115091894
5-butyl-2-pyridin-3-yl-1,3-thiazole
CID 67548098
N-[(2-pyridin-4-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82422667
[2-(4-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280356
N-methyl-3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115091957
2-[2-(2-bromophenyl)-1,3-thiazol-5-yl]ethanamine
CID 82307426
4-[4-[5-[(chloroamino)methyl]-1,3-thiazol-2-yl]phenoxy]butan-1-amine
CID 126719860
5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole
CID 82422643
3-(2-pyridin-4-yl-1,3-oxazol-4-yl)propan-1-amine
CID 115084817

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine (CID 115092126) is 3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine is NCCCc1cnc(-c2ccncc2)s1.
What is the InChIKey of 3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is UUCXGYSGVRNCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c12-5-1-2-10-8-14-11(15-10)9-3-6-13-7-4-9/h3-4,6-8H,1-2,5,12H2.
What are the key properties of 3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine?
3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 219.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 115092126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).