N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

C16H20N4O2S — CID 16948431

IUPACN,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(NC(=O)Nc2cccc(C)c2)n1
InChIInChI=1S/C16H20N4O2S/c1-4-20(5-2)14(21)13-10-23-16(18-13)19-15(22)17-12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3,(H2,17,18,19,22)
InChIKeyUCXUCOJQTAWDGD-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.58
Rot. Bonds5

About N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (PubChem CID 16948431) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
PubChem CID16948431
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1csc(NC(=O)Nc2cccc(C)c2)n1
InChIInChI=1S/C16H20N4O2S/c1-4-20(5-2)14(21)13-10-23-16(18-13)19-15(22)17-12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3,(H2,17,18,19,22)
InChIKeyUCXUCOJQTAWDGD-UHFFFAOYSA-N
XLogP3.58
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948584
1-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(3-methylphenyl)urea
CID 77046632
N-(3-bromophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948505
N-(4-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948502
1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-methylphenyl)urea
CID 16948435
N-cycloheptyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948468
N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948581
N-[2-(2-methoxyphenyl)ethyl]-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948483
2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
CID 41211433
N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 34421744
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide
CID 27454022
N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 25246908

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (CID 16948431) is N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is CCN(CC)C(=O)c1csc(NC(=O)Nc2cccc(C)c2)n1.
What is the InChIKey of N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is UCXUCOJQTAWDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-4-20(5-2)14(21)13-10-23-16(18-13)19-15(22)17-12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3,(H2,17,18,19,22).
What are the key properties of N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).