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

C13H19N3S — CID 113492338

IUPAC5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CN=C(NCCc2ccccn2)S1
InChIInChI=1S/C13H19N3S/c1-10(2)12-9-16-13(17-12)15-8-6-11-5-3-4-7-14-11/h3-5,7,10,12H,6,8-9H2,1-2H3,(H,15,16)
InChIKeyTYLQFBOXVOKHGK-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.34
Rot. Bonds4

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

5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 113492338) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID113492338
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CN=C(NCCc2ccccn2)S1
InChIInChI=1S/C13H19N3S/c1-10(2)12-9-16-13(17-12)15-8-6-11-5-3-4-7-14-11/h3-5,7,10,12H,6,8-9H2,1-2H3,(H,15,16)
InChIKeyTYLQFBOXVOKHGK-UHFFFAOYSA-N
XLogP2.34
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492361
3-propan-2-yl-N-(2-pyridin-2-ylethyl)cyclobutan-1-amine
CID 103560787
2-N-cyclopropyl-2-N-methyl-1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 114133382
1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 115196859
2-methyl-N-(3-pyridin-2-ylpropyl)propan-2-amine
CID 62549888
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline
CID 107644767
N-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 79508326
N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 60648012
1-N,1-N-dimethyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 82938712
2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
CID 65036147
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 113492338) is 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)C1CN=C(NCCc2ccccn2)S1.
What is the InChIKey of 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is TYLQFBOXVOKHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-10(2)12-9-16-13(17-12)15-8-6-11-5-3-4-7-14-11/h3-5,7,10,12H,6,8-9H2,1-2H3,(H,15,16).
What are the key properties of 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 249.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(2-pyridin-2-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 113492338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).