N-methyl-2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide

C17H22N4O3S — CID 87231359

IUPACN-methyl-2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(NC(=O)Nc2ccc(C)cc2OCC(C)C)n1
InChIInChI=1S/C17H22N4O3S/c1-10(2)8-24-14-7-11(3)5-6-12(14)19-16(23)21-17-20-13(9-25-17)15(22)18-4/h5-7,9-10H,8H2,1-4H3,(H,18,22)(H2,19,20,21,23)
InChIKeyNGCVVFIFOSPBCD-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.49
Rot. Bonds6

About N-methyl-2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide

N-methyl-2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide (PubChem CID 87231359) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-methyl-2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide
PubChem CID87231359
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-methyl-2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(NC(=O)Nc2ccc(C)cc2OCC(C)C)n1
InChIInChI=1S/C17H22N4O3S/c1-10(2)8-24-14-7-11(3)5-6-12(14)19-16(23)21-17-20-13(9-25-17)15(22)18-4/h5-7,9-10H,8H2,1-4H3,(H,18,22)(H2,19,20,21,23)
InChIKeyNGCVVFIFOSPBCD-UHFFFAOYSA-N
XLogP3.49
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 59732755
2-[[2-[2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 59732768
1-[4-methyl-2-(2-methylpropoxy)phenyl]-3-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]urea
CID 87231672
1-(5-chloro-1,3-thiazol-2-yl)-3-[4-methyl-2-(2-methylpropoxy)phenyl]urea
CID 87231239
1-methyl-2-[[2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazol-5-yl]methyl]imidazole-4-carboxylic acid
CID 87230670
N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-methyl-2-(2-methylpropoxy)phenyl]oxamide
CID 87230669
1-[4-methyl-2-(2-methylpropoxy)phenyl]-3-(5-pyridin-4-ylsulfonyl-1,3-thiazol-2-yl)urea
CID 87230448
2-[2-[[4-methyl-2-(2-methylpropylsulfanyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 59732935
1-[4-fluoro-2-(2-methylpropoxy)phenyl]-3-(1,2,4-thiadiazol-5-yl)urea
CID 66999180
2-(aminomethyl)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 119726889
1-[5-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1,3-thiazol-2-yl]-3-[4-methyl-2-(2-methylpropoxy)phenyl]urea
CID 87230546
2-(4-ethoxyanilino)-N-(2-methoxy-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16954960

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide (CID 87231359) is N-methyl-2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(NC(=O)Nc2ccc(C)cc2OCC(C)C)n1.
What is the InChIKey of N-methyl-2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is NGCVVFIFOSPBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-10(2)8-24-14-7-11(3)5-6-12(14)19-16(23)21-17-20-13(9-25-17)15(22)18-4/h5-7,9-10H,8H2,1-4H3,(H,18,22)(H2,19,20,21,23).
What are the key properties of N-methyl-2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide?
N-methyl-2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-methyl-2-(2-methylpropoxy)phenyl]carbamoylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 87231359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).