1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea

C18H13N5OS2 — CID 18771890

IUPAC1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
SMILESO=C(Nc1csc(-c2cccnc2)n1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H13N5OS2/c24-17(22-15-11-25-16(21-15)13-7-4-8-19-9-13)23-18-20-14(10-26-18)12-5-2-1-3-6-12/h1-11H,(H2,20,22,23,24)
InChIKeyNELFEFXSVCRQBC-UHFFFAOYSA-N
MW379.47 g/mol
LogP4.97
Rot. Bonds4

About 1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea

1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea (PubChem CID 18771890) has the molecular formula C18H13N5OS2 and a molecular weight of 379.47 g/mol. Its IUPAC name is 1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
PubChem CID18771890
Molecular FormulaC18H13N5OS2
Molecular Weight379.47 g/mol
Exact Mass379.06
IUPAC Name1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
SMILESO=C(Nc1csc(-c2cccnc2)n1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H13N5OS2/c24-17(22-15-11-25-16(21-15)13-7-4-8-19-9-13)23-18-20-14(10-26-18)12-5-2-1-3-6-12/h1-11H,(H2,20,22,23,24)
InChIKeyNELFEFXSVCRQBC-UHFFFAOYSA-N
XLogP4.97
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 58824760
1-pyridin-3-yl-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
CID 18772022
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
1-(2-pyridin-4-yl-1,3-thiazol-4-yl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)urea
CID 58824766
1-(3-hydroxy-2-pyridinyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
CID 18771602
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 59922340
3-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110441097
(2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid
CID 151833178
1-(3-tert-butyl-1λ3-ioda-2-oxacyclopenta-3,5-dien-5-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea
CID 163640903
1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 17217807

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea?
The IUPAC name of 1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea (CID 18771890) is 1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea.
What is the SMILES notation for 1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea?
The canonical SMILES for 1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea is O=C(Nc1csc(-c2cccnc2)n1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea?
The InChIKey is NELFEFXSVCRQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS2/c24-17(22-15-11-25-16(21-15)13-7-4-8-19-9-13)23-18-20-14(10-26-18)12-5-2-1-3-6-12/h1-11H,(H2,20,22,23,24).
What are the key properties of 1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea?
1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea has a molecular weight of 379.47 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-1,3-thiazol-2-yl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)urea is sourced from PubChem (CID 18771890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).