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

C18H18N4OS — CID 89421450

IUPAC1-methyl-1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESC[C@H](c1ccccc1)N(C)C(=O)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C18H18N4OS/c1-13(14-6-4-3-5-7-14)22(2)18(23)21-17-20-16(12-24-17)15-8-10-19-11-9-15/h3-13H,1-2H3,(H,20,21,23)/t13-/m1/s1
InChIKeyFSEYAVOCUCTBIZ-CYBMUJFWSA-N
MW338.44 g/mol
LogP4.43
Rot. Bonds4

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

1-methyl-1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (PubChem CID 89421450) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-methyl-1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-methyl-1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
PubChem CID89421450
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name1-methyl-1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
SMILESC[C@H](c1ccccc1)N(C)C(=O)Nc1nc(-c2ccncc2)cs1
InChIInChI=1S/C18H18N4OS/c1-13(14-6-4-3-5-7-14)22(2)18(23)21-17-20-16(12-24-17)15-8-10-19-11-9-15/h3-13H,1-2H3,(H,20,21,23)/t13-/m1/s1
InChIKeyFSEYAVOCUCTBIZ-CYBMUJFWSA-N
XLogP4.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Stf-62247
CID 704473
Foropafant
CID 119368
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
4-(Pyridin-4-yl)-1,3-thiazol-2-amine
CID 930237
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
5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329324

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-methyl-1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea (CID 89421450) is 1-methyl-1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-methyl-1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-methyl-1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is C[C@H](c1ccccc1)N(C)C(=O)Nc1nc(-c2ccncc2)cs1.
What is the InChIKey of 1-methyl-1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
The InChIKey is FSEYAVOCUCTBIZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-13(14-6-4-3-5-7-14)22(2)18(23)21-17-20-16(12-24-17)15-8-10-19-11-9-15/h3-13H,1-2H3,(H,20,21,23)/t13-/m1/s1.
What are the key properties of 1-methyl-1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea?
1-methyl-1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea has a molecular weight of 338.44 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(1R)-1-phenylethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 89421450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).