1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea

C15H17N7OS — CID 75521636

IUPAC1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
SMILESCc1csc(C(C)CNC(=O)Nc2cnn(-c3ncccn3)c2)n1
InChIInChI=1S/C15H17N7OS/c1-10(13-20-11(2)9-24-13)6-18-15(23)21-12-7-19-22(8-12)14-16-4-3-5-17-14/h3-5,7-10H,6H2,1-2H3,(H2,18,21,23)
InChIKeyPRQOUXFDKCJWQZ-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.35
Rot. Bonds5

About 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea

1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea (PubChem CID 75521636) has the molecular formula C15H17N7OS and a molecular weight of 343.42 g/mol. Its IUPAC name is 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
PubChem CID75521636
Molecular FormulaC15H17N7OS
Molecular Weight343.42 g/mol
Exact Mass343.12
IUPAC Name1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
SMILESCc1csc(C(C)CNC(=O)Nc2cnn(-c3ncccn3)c2)n1
InChIInChI=1S/C15H17N7OS/c1-10(13-20-11(2)9-24-13)6-18-15(23)21-12-7-19-22(8-12)14-16-4-3-5-17-14/h3-5,7-10H,6H2,1-2H3,(H2,18,21,23)
InChIKeyPRQOUXFDKCJWQZ-UHFFFAOYSA-N
XLogP2.35
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-tert-butylpyrazol-4-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505131
1-(3-fluoro-2-pyridinyl)-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 99840415
N-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]benzamide
CID 75477530
1-(4-methyl-3-oxopyrazin-2-yl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505356
1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75477535
N-methyl-N-[3-[2-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]phenyl]acetamide
CID 75477546
1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 166196323
1-[4-(dimethylamino)pyrimidin-5-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505217
1-(3-fluoro-5-methoxyphenyl)-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75505155
N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide
CID 124617062
1-[(2-methylpyrimidin-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75521277
1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 99714951

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea (CID 75521636) is 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea is Cc1csc(C(C)CNC(=O)Nc2cnn(-c3ncccn3)c2)n1.
What is the InChIKey of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The InChIKey is PRQOUXFDKCJWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS/c1-10(13-20-11(2)9-24-13)6-18-15(23)21-12-7-19-22(8-12)14-16-4-3-5-17-14/h3-5,7-10H,6H2,1-2H3,(H2,18,21,23).
What are the key properties of 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea has a molecular weight of 343.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 75521636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).