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

C16H17N5OS — CID 75434300

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]urea
SMILESCc1csc(-c2ccc(NC(=O)Nc3c(C)n[nH]c3C)cc2)n1
InChIInChI=1S/C16H17N5OS/c1-9-8-23-15(17-9)12-4-6-13(7-5-12)18-16(22)19-14-10(2)20-21-11(14)3/h4-8H,1-3H3,(H,20,21)(H2,18,19,22)
InChIKeyDLPUSNHQZGQXKP-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.10
Rot. Bonds3

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

1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]urea (PubChem CID 75434300) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]urea
PubChem CID75434300
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]urea
SMILESCc1csc(-c2ccc(NC(=O)Nc3c(C)n[nH]c3C)cc2)n1
InChIInChI=1S/C16H17N5OS/c1-9-8-23-15(17-9)12-4-6-13(7-5-12)18-16(22)19-14-10(2)20-21-11(14)3/h4-8H,1-3H3,(H,20,21)(H2,18,19,22)
InChIKeyDLPUSNHQZGQXKP-UHFFFAOYSA-N
XLogP4.10
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]benzoic acid
CID 61202247
4-methyl-4-[[4-(4-methyl-1,3-thiazol-2-yl)phenyl]carbamoylamino]pentanoic acid
CID 122078725
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(trifluoromethylsulfinyl)phenyl]urea
CID 75434351
1-[4-[1-(difluoromethyl)imidazol-2-yl]phenyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 75434316
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CID 167969492
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CID 9123007
1-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 56823088
4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
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1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 113433831
4-amino-3-methoxy-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]butanamide
CID 120590818
(E)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 166232176
2-(2-methoxyethylamino)-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]urea (CID 75434300) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]urea is Cc1csc(-c2ccc(NC(=O)Nc3c(C)n[nH]c3C)cc2)n1.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]urea?
The InChIKey is DLPUSNHQZGQXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-9-8-23-15(17-9)12-4-6-13(7-5-12)18-16(22)19-14-10(2)20-21-11(14)3/h4-8H,1-3H3,(H,20,21)(H2,18,19,22).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]urea?
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]urea has a molecular weight of 327.41 g/mol, XLogP of 4.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]urea is sourced from PubChem (CID 75434300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).