1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea

C17H16N4OS — CID 87406409

IUPAC1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESC[C@@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1
InChIInChI=1S/C17H16N4OS/c1-12(13-5-3-2-4-6-13)19-16(22)21-17-20-15(11-23-17)14-7-9-18-10-8-14/h2-12H,1H3,(H2,19,20,21,22)/t12-/m1/s1
InChIKeyMQYQXIHEKOMMHJ-GFCCVEGCSA-N
MW324.41 g/mol
LogP4.09
Rot. Bonds4

About 1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea

1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (PubChem CID 87406409) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
PubChem CID87406409
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESC[C@@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1
InChIInChI=1S/C17H16N4OS/c1-12(13-5-3-2-4-6-13)19-16(22)21-17-20-15(11-23-17)14-7-9-18-10-8-14/h2-12H,1H3,(H2,19,20,21,22)/t12-/m1/s1
InChIKeyMQYQXIHEKOMMHJ-GFCCVEGCSA-N
XLogP4.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Stf-62247
CID 704473
3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
Acetamide, N-[4-[2-(2-pyridinylamino)-4-thiazolyl]phenyl]-
CID 973066
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135317
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
N-(1,3-Thiazol-2-yl)pyridin-2-amine 1
CID 5329323
N-(1,3-Thiazol-2-yl)pyridin-2-amine 13
CID 5329326

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (CID 87406409) is 1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is C[C@@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1.
What is the InChIKey of 1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The InChIKey is MQYQXIHEKOMMHJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-12(13-5-3-2-4-6-13)19-16(22)21-17-20-15(11-23-17)14-7-9-18-10-8-14/h2-12H,1H3,(H2,19,20,21,22)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea has a molecular weight of 324.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 87406409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).