1-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[(2-methylphenyl)methyl]urea

C19H20N6OS — CID 44533692

IUPAC1-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)Nc1cccc(-c2csc(N=C(N)N)n2)c1
InChIInChI=1S/C19H20N6OS/c1-12-5-2-3-6-14(12)10-22-18(26)23-15-8-4-7-13(9-15)16-11-27-19(24-16)25-17(20)21/h2-9,11H,10H2,1H3,(H2,22,23,26)(H4,20,21,24,25)
InChIKeyUIUVMAGQAUGFIZ-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.35
Rot. Bonds5

About 1-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[(2-methylphenyl)methyl]urea

1-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[(2-methylphenyl)methyl]urea (PubChem CID 44533692) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is 1-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[(2-methylphenyl)methyl]urea
PubChem CID44533692
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name1-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)Nc1cccc(-c2csc(N=C(N)N)n2)c1
InChIInChI=1S/C19H20N6OS/c1-12-5-2-3-6-14(12)10-22-18(26)23-15-8-4-7-13(9-15)16-11-27-19(24-16)25-17(20)21/h2-9,11H,10H2,1H3,(H2,22,23,26)(H4,20,21,24,25)
InChIKeyUIUVMAGQAUGFIZ-UHFFFAOYSA-N
XLogP3.35
TPSA118.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
N-(4-(2-Amino-1,3-thiazol-4-yl)phenyl)acetamide
CID 519881
4-isopropyl-N-(naphthalen-1-yl)thiazol-2-amine
CID 9814022
2-(p-Aminoanilino)-4-phenyl-thiazole
CID 697284
Guanidinenmethylncyanon32nguanidylthiazol4ylphen
CID 14022519
N-Phenyl-N'-(4-phenyl-2-thiazolyl)urea
CID 832542
N-(naphthalen-1-yl)-4-phenylthiazol-2-amine
CID 4015979
1-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]-3-phenylthiourea
CID 930568
1-[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 2810741
1-(2,4-Difluorophenyl)-3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]urea
CID 2810744
1-Phenethyl-3-[4-(4-pyridyl)thiazol-2-yl]urea
CID 482056
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[(2-methylphenyl)methyl]urea (CID 44533692) is 1-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[(2-methylphenyl)methyl]urea is Cc1ccccc1CNC(=O)Nc1cccc(-c2csc(N=C(N)N)n2)c1.
What is the InChIKey of 1-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[(2-methylphenyl)methyl]urea?
The InChIKey is UIUVMAGQAUGFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-12-5-2-3-6-14(12)10-22-18(26)23-15-8-4-7-13(9-15)16-11-27-19(24-16)25-17(20)21/h2-9,11H,10H2,1H3,(H2,22,23,26)(H4,20,21,24,25).
What are the key properties of 1-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[(2-methylphenyl)methyl]urea?
1-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[(2-methylphenyl)methyl]urea has a molecular weight of 380.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 44533692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).