1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea

C16H18N6OS — CID 97009226

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea
SMILESCc1ncc(CNC(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)s1
InChIInChI=1S/C16H18N6OS/c1-11(19-16(23)18-9-14-8-17-12(2)24-14)15-10-22(21-20-15)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3,(H2,18,19,23)/t11-/m0/s1
InChIKeyYCTZGXBWIDAFIE-NSHDSACASA-N
MW342.43 g/mol
LogP2.59
Rot. Bonds5

About 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea

1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea (PubChem CID 97009226) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea
PubChem CID97009226
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea
SMILESCc1ncc(CNC(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)s1
InChIInChI=1S/C16H18N6OS/c1-11(19-16(23)18-9-14-8-17-12(2)24-14)15-10-22(21-20-15)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3,(H2,18,19,23)/t11-/m0/s1
InChIKeyYCTZGXBWIDAFIE-NSHDSACASA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea with MolForge

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Related Compounds

1-[1-(2-methylphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841602
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 86836292
(2S)-2-amino-4-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide
CID 119822438
2-[4-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458611
2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 54962423
(2S)-3-hydroxy-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]propanoic acid
CID 54962472
5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]hexanoic acid
CID 82848419
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea
CID 86841626
3-amino-N-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 97089427
2-amino-2-methyl-N-[1-(1-phenyltriazol-4-yl)ethyl]pentanamide;hydrochloride
CID 119822435
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86841729
N-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119345694

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea (CID 97009226) is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea is Cc1ncc(CNC(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)s1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea?
The InChIKey is YCTZGXBWIDAFIE-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N6OS/c1-11(19-16(23)18-9-14-8-17-12(2)24-14)15-10-22(21-20-15)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3,(H2,18,19,23)/t11-/m0/s1.
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea?
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea has a molecular weight of 342.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-[(1S)-1-(1-phenyltriazol-4-yl)ethyl]urea is sourced from PubChem (CID 97009226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).