1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea

C16H18N6OS — CID 99858547

IUPAC1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea
SMILESCc1ccnc(-n2nccc2NC(=O)NC[C@H](C)c2nccs2)c1
InChIInChI=1S/C16H18N6OS/c1-11-3-5-17-14(9-11)22-13(4-6-20-22)21-16(23)19-10-12(2)15-18-7-8-24-15/h3-9,12H,10H2,1-2H3,(H2,19,21,23)/t12-/m0/s1
InChIKeyOULGSDWATGMEAZ-LBPRGKRZSA-N
MW342.43 g/mol
LogP2.96
Rot. Bonds5

About 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea

1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 99858547) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea
PubChem CID99858547
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea
SMILESCc1ccnc(-n2nccc2NC(=O)NC[C@H](C)c2nccs2)c1
InChIInChI=1S/C16H18N6OS/c1-11-3-5-17-14(9-11)22-13(4-6-20-22)21-16(23)19-10-12(2)15-18-7-8-24-15/h3-9,12H,10H2,1-2H3,(H2,19,21,23)/t12-/m0/s1
InChIKeyOULGSDWATGMEAZ-LBPRGKRZSA-N
XLogP2.96
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 86800621
1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 99713787
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
1-[1-(furan-2-yl)-3-hydroxypropyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea
CID 126782814
(2S)-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-2-phenylsulfanylpropanamide
CID 99637742
1-(2-methyl-4-nitrophenyl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 86804078
1-[3-(pyrazol-1-ylmethyl)phenyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 75505012
4-ethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 127930065
1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 86790484
4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid
CID 114127990
1-(4-methoxyquinolin-8-yl)-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 86790173
2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 114129313

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea (CID 99858547) is 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea is Cc1ccnc(-n2nccc2NC(=O)NC[C@H](C)c2nccs2)c1.
What is the InChIKey of 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea?
The InChIKey is OULGSDWATGMEAZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-11-3-5-17-14(9-11)22-13(4-6-20-22)21-16(23)19-10-12(2)15-18-7-8-24-15/h3-9,12H,10H2,1-2H3,(H2,19,21,23)/t12-/m0/s1.
What are the key properties of 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea?
1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 342.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 99858547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).