1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea

C18H22N6OS — CID 72928705

IUPAC1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea
SMILESCC(C)c1csc(CCNC(=O)Nc2cc(-c3cccnc3)nn2C)n1
InChIInChI=1S/C18H22N6OS/c1-12(2)15-11-26-17(21-15)6-8-20-18(25)22-16-9-14(23-24(16)3)13-5-4-7-19-10-13/h4-5,7,9-12H,6,8H2,1-3H3,(H2,20,22,25)
InChIKeyNDTNDSBFWFFPOZ-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.43
Rot. Bonds6

About 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea

1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 72928705) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID72928705
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea
SMILESCC(C)c1csc(CCNC(=O)Nc2cc(-c3cccnc3)nn2C)n1
InChIInChI=1S/C18H22N6OS/c1-12(2)15-11-26-17(21-15)6-8-20-18(25)22-16-9-14(23-24(16)3)13-5-4-7-19-10-13/h4-5,7,9-12H,6,8H2,1-3H3,(H2,20,22,25)
InChIKeyNDTNDSBFWFFPOZ-UHFFFAOYSA-N
XLogP3.43
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1H-pyrazol-4-yl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 42645487
Thiazole derivative 4
CID 73891136
1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-(1,3-Thiazol-2-Yl)urea
CID 51035417
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
2-(4-Ethyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-methyl-thiazol-2-yl)-acetamide
CID 648381
2-(4-Butyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-methyl-thiazol-2-yl)-acetamide
CID 648616
N-(4-Methyl-thiazol-2-yl)-2-(4-propyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 650828
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 653401
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-[4-(pyridin-4-ylsulfanylmethyl)-phenyl]-urea
CID 17941480
5-methyl-4-(1H-pyrazol-4-yl)-N-(pyridin-2-yl)thiazol-2-amine
CID 25138329
4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42644808
1-(5'-(2H-tetrazol-5-yl)-4-(4-(trifluoromethyl)thiazol-2-yl)-3,3'-bipyridin-6-yl)-3-ethylurea
CID 44205422

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea (CID 72928705) is 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea is CC(C)c1csc(CCNC(=O)Nc2cc(-c3cccnc3)nn2C)n1.
What is the InChIKey of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is NDTNDSBFWFFPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-12(2)15-11-26-17(21-15)6-8-20-18(25)22-16-9-14(23-24(16)3)13-5-4-7-19-10-13/h4-5,7,9-12H,6,8H2,1-3H3,(H2,20,22,25).
What are the key properties of 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea?
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 370.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 72928705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).