1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea

C21H19N5OS — CID 135223230

IUPAC1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
SMILESO=C(NCc1cn[nH]c1)Nc1ccc(-c2ncc(Cc3ccccc3)s2)cc1
InChIInChI=1S/C21H19N5OS/c27-21(23-11-16-12-24-25-13-16)26-18-8-6-17(7-9-18)20-22-14-19(28-20)10-15-4-2-1-3-5-15/h1-9,12-14H,10-11H2,(H,24,25)(H2,23,26,27)
InChIKeyLTPQBNLNQCAVTR-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.45
Rot. Bonds6

About 1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea

1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea (PubChem CID 135223230) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
PubChem CID135223230
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC Name1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
SMILESO=C(NCc1cn[nH]c1)Nc1ccc(-c2ncc(Cc3ccccc3)s2)cc1
InChIInChI=1S/C21H19N5OS/c27-21(23-11-16-12-24-25-13-16)26-18-8-6-17(7-9-18)20-22-14-19(28-20)10-15-4-2-1-3-5-15/h1-9,12-14H,10-11H2,(H,24,25)(H2,23,26,27)
InChIKeyLTPQBNLNQCAVTR-UHFFFAOYSA-N
XLogP4.45
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(5-phenyl-1,3-thiazol-2-yl)methyl]phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 162148289
1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea
CID 61347792
1-[4-(1,3-benzothiazol-2-ylamino)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135222667
1-[4-(2-phenylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135231159
4-[[[4-[phenyl-(sulfinatoamino)methyl]phenyl]carbamoylamino]methyl]-1H-pyrazole
CID 174214469
1-(2-phenylethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654760
1-[4-(2-methylphenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135223269
1-[4-(4-chlorophenyl)sulfonylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea
CID 135223401
1-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-3-(4-chlorophenyl)urea
CID 110645471
1-phenyl-3-(1H-pyrazol-4-ylmethyl)thiourea
CID 116507746
N-(4-methoxyphenyl)-4-(1H-pyrazol-4-ylmethylcarbamoylamino)benzamide
CID 135223318
1-benzyl-3-[4-(1H-imidazol-2-yl)phenyl]urea
CID 110748436

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea?
The IUPAC name of 1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea (CID 135223230) is 1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea.
What is the SMILES notation for 1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea?
The canonical SMILES for 1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea is O=C(NCc1cn[nH]c1)Nc1ccc(-c2ncc(Cc3ccccc3)s2)cc1.
What is the InChIKey of 1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea?
The InChIKey is LTPQBNLNQCAVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c27-21(23-11-16-12-24-25-13-16)26-18-8-6-17(7-9-18)20-22-14-19(28-20)10-15-4-2-1-3-5-15/h1-9,12-14H,10-11H2,(H,24,25)(H2,23,26,27).
What are the key properties of 1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea?
1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea has a molecular weight of 389.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-benzyl-1,3-thiazol-2-yl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea is sourced from PubChem (CID 135223230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).