1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea

C14H14N6OS — CID 122275949

IUPAC1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
SMILESCc1ccncc1NC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C14H14N6OS/c1-10-2-4-15-7-13(10)17-14(21)16-6-11-8-20(19-18-11)12-3-5-22-9-12/h2-5,7-9H,6H2,1H3,(H2,16,17,21)
InChIKeyCNHLIOLXZKYOQN-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.35
Rot. Bonds4

About 1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea

1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea (PubChem CID 122275949) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
PubChem CID122275949
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
SMILESCc1ccncc1NC(=O)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C14H14N6OS/c1-10-2-4-15-7-13(10)17-14(21)16-6-11-8-20(19-18-11)12-3-5-22-9-12/h2-5,7-9H,6H2,1H3,(H2,16,17,21)
InChIKeyCNHLIOLXZKYOQN-UHFFFAOYSA-N
XLogP2.35
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-tert-butylphenyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275968
1-quinolin-5-yl-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275943
1-(2,6-difluorophenyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275994
1-(3,5-dimethoxyphenyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275982
2-ethyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]butanamide
CID 122275830
1-(1-adamantyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea
CID 122275978
2-ethoxy-N-[(1-thiophen-3-yltriazol-4-yl)methyl]acetamide
CID 122275655
1-(4-methylphenyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198151
N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide
CID 122162192
1-pyridin-3-yl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198111
1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 119105072
1-ethyl-3-(4-methyl-3-pyridinyl)urea
CID 115776522

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea?
The IUPAC name of 1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea (CID 122275949) is 1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea?
The canonical SMILES for 1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea is Cc1ccncc1NC(=O)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea?
The InChIKey is CNHLIOLXZKYOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c1-10-2-4-15-7-13(10)17-14(21)16-6-11-8-20(19-18-11)12-3-5-22-9-12/h2-5,7-9H,6H2,1H3,(H2,16,17,21).
What are the key properties of 1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea?
1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea has a molecular weight of 314.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyridinyl)-3-[(1-thiophen-3-yltriazol-4-yl)methyl]urea is sourced from PubChem (CID 122275949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).