1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea

C16H20N6OS — CID 74240112

IUPAC1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESCC(C)c1nc(CCNC(=O)Nc2cccc3nn(C)nc23)cs1
InChIInChI=1S/C16H20N6OS/c1-10(2)15-18-11(9-24-15)7-8-17-16(23)19-12-5-4-6-13-14(12)21-22(3)20-13/h4-6,9-10H,7-8H2,1-3H3,(H2,17,19,23)
InChIKeyBOZVAJNYYZKGKU-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.91
Rot. Bonds5

About 1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea

1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 74240112) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID74240112
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESCC(C)c1nc(CCNC(=O)Nc2cccc3nn(C)nc23)cs1
InChIInChI=1S/C16H20N6OS/c1-10(2)15-18-11(9-24-15)7-8-17-16(23)19-12-5-4-6-13-14(12)21-22(3)20-13/h4-6,9-10H,7-8H2,1-3H3,(H2,17,19,23)
InChIKeyBOZVAJNYYZKGKU-UHFFFAOYSA-N
XLogP2.91
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide
CID 126782331
2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869430
1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-[3-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 56568207
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
2-amino-2-(4-methylphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 120670027
1-(1-hydroxy-4-methylpentan-3-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 111505742
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 18758998
5-(methylsulfamoyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide
CID 126784875
1-[(4-cyanophenyl)methyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 56823468
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide
CID 169411645
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea
CID 111480762
4-imidazol-1-yl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 118764826

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea (CID 74240112) is 1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea is CC(C)c1nc(CCNC(=O)Nc2cccc3nn(C)nc23)cs1.
What is the InChIKey of 1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is BOZVAJNYYZKGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-10(2)15-18-11(9-24-15)7-8-17-16(23)19-12-5-4-6-13-14(12)21-22(3)20-13/h4-6,9-10H,7-8H2,1-3H3,(H2,17,19,23).
What are the key properties of 1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea?
1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 344.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzotriazol-4-yl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 74240112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).