N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide

C18H16Cl2N6O2S — CID 87095364

IUPACN-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide
SMILESCN(Cc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1)C(=O)c1cnccn1
InChIInChI=1S/C18H16Cl2N6O2S/c1-26(16(27)15-8-21-4-5-22-15)9-12-10-29-18(24-12)25-17(28)23-7-11-2-3-13(19)14(20)6-11/h2-6,8,10H,7,9H2,1H3,(H2,23,24,25,28)
InChIKeyVKDVFAKVFMFDIM-UHFFFAOYSA-N
MW451.34 g/mol
LogP3.83
Rot. Bonds6

About N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide

N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide (PubChem CID 87095364) has the molecular formula C18H16Cl2N6O2S and a molecular weight of 451.34 g/mol. Its IUPAC name is N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide
PubChem CID87095364
Molecular FormulaC18H16Cl2N6O2S
Molecular Weight451.34 g/mol
Exact Mass450.04
IUPAC NameN-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide
SMILESCN(Cc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1)C(=O)c1cnccn1
InChIInChI=1S/C18H16Cl2N6O2S/c1-26(16(27)15-8-21-4-5-22-15)9-12-10-29-18(24-12)25-17(28)23-7-11-2-3-13(19)14(20)6-11/h2-6,8,10H,7,9H2,1H3,(H2,23,24,25,28)
InChIKeyVKDVFAKVFMFDIM-UHFFFAOYSA-N
XLogP3.83
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.34
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 25206308
1-[(3,4-dichlorophenyl)methyl]-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea
CID 25051873
1-[(3,4-dichlorophenyl)methyl]-3-[4-[2-(dimethylamino)ethoxymethyl]-1,3-thiazol-2-yl]urea
CID 87726708
1-[(3,4-dichlorophenyl)methyl]-3-[4-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]urea
CID 25051530
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyrazine-2-carboxamide
CID 25206964
4-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpyrazole-5-carboxamide
CID 87095221
3-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-6-methoxy-N-methylpyridazine-4-carboxamide
CID 86661317
N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-3,5-dimethyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 25205329
N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 25206797
1-[(3,4-dichlorophenyl)methyl]-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea;hydrochloride
CID 87736854
3,6-dichloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide
CID 87095254
1-[(3,4-dichlorophenyl)methyl]-3-[4-[(3-hydroxy-2-methyl-5H-1,2-oxazol-2-ium-2-yl)methyl]-1,3-thiazol-2-yl]urea
CID 87171934

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide (CID 87095364) is N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide is CN(Cc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1)C(=O)c1cnccn1.
What is the InChIKey of N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is VKDVFAKVFMFDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N6O2S/c1-26(16(27)15-8-21-4-5-22-15)9-12-10-29-18(24-12)25-17(28)23-7-11-2-3-13(19)14(20)6-11/h2-6,8,10H,7,9H2,1H3,(H2,23,24,25,28).
What are the key properties of N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide?
N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 451.34 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 87095364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).