1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea

C13H19N5OS — CID 124727220

IUPAC1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea
SMILESCC(C)[C@H](CNC(=O)Nc1nccs1)c1ccnn1C
InChIInChI=1S/C13H19N5OS/c1-9(2)10(11-4-5-16-18(11)3)8-15-12(19)17-13-14-6-7-20-13/h4-7,9-10H,8H2,1-3H3,(H2,14,15,17,19)/t10-/m0/s1
InChIKeyCSGRGMPFUWEDBM-JTQLQIEISA-N
MW293.40 g/mol
LogP2.44
Rot. Bonds5

About 1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea

1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 124727220) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID124727220
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea
SMILESCC(C)[C@H](CNC(=O)Nc1nccs1)c1ccnn1C
InChIInChI=1S/C13H19N5OS/c1-9(2)10(11-4-5-16-18(11)3)8-15-12(19)17-13-14-6-7-20-13/h4-7,9-10H,8H2,1-3H3,(H2,14,15,17,19)/t10-/m0/s1
InChIKeyCSGRGMPFUWEDBM-JTQLQIEISA-N
XLogP2.44
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 124847631
1-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 119045396
2,2,6,6-tetramethyl-N-[(2S)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]morpholine-4-carboxamide
CID 124855766
2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid
CID 104686066
1-[(2S)-2-pyrrolidin-1-ylbutyl]-3-(1,3-thiazol-2-yl)urea
CID 95131197
1-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94197374
2,2-dimethyl-3-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid
CID 115428250
1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47193219
1-[2-(cyclopentylamino)-4-methylpentyl]-3-(1,3-thiazol-2-yl)urea
CID 142671530
1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 82506108
3-(3,4-dimethoxyphenyl)-N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]propanamide
CID 124729672
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(1,3-thiazol-2-yl)urea
CID 94024697

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea (CID 124727220) is 1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea is CC(C)[C@H](CNC(=O)Nc1nccs1)c1ccnn1C.
What is the InChIKey of 1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is CSGRGMPFUWEDBM-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19N5OS/c1-9(2)10(11-4-5-16-18(11)3)8-15-12(19)17-13-14-6-7-20-13/h4-7,9-10H,8H2,1-3H3,(H2,14,15,17,19)/t10-/m0/s1.
What are the key properties of 1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea?
1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 293.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 124727220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).