2-(hexylcarbamoylamino)-4-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide

C20H28N4O2S — CID 18442027

IUPAC2-(hexylcarbamoylamino)-4-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCCCCCNC(=O)Nc1nc(-c2ccc(C)c(C)c2C)c(C(N)=O)s1
InChIInChI=1S/C20H28N4O2S/c1-5-6-7-8-11-22-19(26)24-20-23-16(17(27-20)18(21)25)15-10-9-12(2)13(3)14(15)4/h9-10H,5-8,11H2,1-4H3,(H2,21,25)(H2,22,23,24,26)
InChIKeyXAHGQUMPTOWCGU-UHFFFAOYSA-N
MW388.54 g/mol
LogP4.54
Rot. Bonds8

About 2-(hexylcarbamoylamino)-4-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide

2-(hexylcarbamoylamino)-4-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 18442027) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-(hexylcarbamoylamino)-4-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(hexylcarbamoylamino)-4-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID18442027
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name2-(hexylcarbamoylamino)-4-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCCCCCNC(=O)Nc1nc(-c2ccc(C)c(C)c2C)c(C(N)=O)s1
InChIInChI=1S/C20H28N4O2S/c1-5-6-7-8-11-22-19(26)24-20-23-16(17(27-20)18(21)25)15-10-9-12(2)13(3)14(15)4/h9-10H,5-8,11H2,1-4H3,(H2,21,25)(H2,22,23,24,26)
InChIKeyXAHGQUMPTOWCGU-UHFFFAOYSA-N
XLogP4.54
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-octylurea
CID 5018517
2-(butylcarbamoylamino)-4-methyl-1,3-thiazole-5-carbonyl chloride
CID 54212272
2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 16897605
2-(hexanoylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 58719647
1-dodecyl-3-(4-methoxyphenyl)urea
CID 172727415
1-(2-aminophenyl)-3-nonylurea
CID 177454724
2-(butylcarbamoylamino)-N-(2-chloro-6-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide;1,3-thiazole-5-carboxamide
CID 87864761
1-[2-methyl-4-[3-methyl-4-(octadecylcarbamoylamino)phenyl]phenyl]-3-octadecylurea
CID 15667709
2-(butylcarbamoylamino)-N-[2,4-dimethyl-5-(2-oxopropyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 58719651
1-dodecyl-3-phenylurea
CID 3697946
3-(pentylcarbamoylamino)benzamide
CID 47033052
1-hexyl-3-(5-methyl-2-pyridinyl)urea
CID 158285971

Frequently Asked Questions

What is the IUPAC name of 2-(hexylcarbamoylamino)-4-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(hexylcarbamoylamino)-4-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide (CID 18442027) is 2-(hexylcarbamoylamino)-4-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(hexylcarbamoylamino)-4-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(hexylcarbamoylamino)-4-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide is CCCCCCNC(=O)Nc1nc(-c2ccc(C)c(C)c2C)c(C(N)=O)s1.
What is the InChIKey of 2-(hexylcarbamoylamino)-4-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XAHGQUMPTOWCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-5-6-7-8-11-22-19(26)24-20-23-16(17(27-20)18(21)25)15-10-9-12(2)13(3)14(15)4/h9-10H,5-8,11H2,1-4H3,(H2,21,25)(H2,22,23,24,26).
What are the key properties of 2-(hexylcarbamoylamino)-4-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide?
2-(hexylcarbamoylamino)-4-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 4.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylcarbamoylamino)-4-(2,3,4-trimethylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18442027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).