(2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine

C16H19N5S — CID 125441563

IUPAC(2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine
SMILESC[C@H](Cn1ccnc1)NCCc1csc(-c2ccncc2)n1
InChIInChI=1S/C16H19N5S/c1-13(10-21-9-8-18-12-21)19-7-4-15-11-22-16(20-15)14-2-5-17-6-3-14/h2-3,5-6,8-9,11-13,19H,4,7,10H2,1H3/t13-/m1/s1
InChIKeyMZTOUUSLSVDOLQ-CYBMUJFWSA-N
MW313.43 g/mol
LogP2.62
Rot. Bonds7

About (2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine

(2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine (PubChem CID 125441563) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is (2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine
PubChem CID125441563
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name(2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine
SMILESC[C@H](Cn1ccnc1)NCCc1csc(-c2ccncc2)n1
InChIInChI=1S/C16H19N5S/c1-13(10-21-9-8-18-12-21)19-7-4-15-11-22-16(20-15)14-2-5-17-6-3-14/h2-3,5-6,8-9,11-13,19H,4,7,10H2,1H3/t13-/m1/s1
InChIKeyMZTOUUSLSVDOLQ-CYBMUJFWSA-N
XLogP2.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine with MolForge

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Related Compounds

1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 54958968
(2R)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277558
2-(4-chlorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 47028512
N-[(4-cyclopropylphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 79979507
1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol
CID 54958917
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
N-[(4-bromothiophen-2-yl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 43435635
(2S)-1-pyrazol-1-yl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 95274931
N-(1-hydroxypropan-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110428238
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599

Frequently Asked Questions

What is the IUPAC name of (2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine?
The IUPAC name of (2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine (CID 125441563) is (2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for (2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine?
The canonical SMILES for (2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine is C[C@H](Cn1ccnc1)NCCc1csc(-c2ccncc2)n1.
What is the InChIKey of (2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine?
The InChIKey is MZTOUUSLSVDOLQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N5S/c1-13(10-21-9-8-18-12-21)19-7-4-15-11-22-16(20-15)14-2-5-17-6-3-14/h2-3,5-6,8-9,11-13,19H,4,7,10H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine?
(2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine has a molecular weight of 313.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-imidazol-1-yl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 125441563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).