N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide

C17H17ClN6O2S2 — CID 87095712

IUPACN-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide
SMILESCc1cnncc1C(=O)N(C)Cc1csc(NC(=O)NCc2ccc(Cl)s2)n1
InChIInChI=1S/C17H17ClN6O2S2/c1-10-5-20-21-7-13(10)15(25)24(2)8-11-9-27-17(22-11)23-16(26)19-6-12-3-4-14(18)28-12/h3-5,7,9H,6,8H2,1-2H3,(H2,19,22,23,26)
InChIKeyHQBJJBOVTHANMN-UHFFFAOYSA-N
MW436.95 g/mol
LogP3.55
Rot. Bonds6

About N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide

N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide (PubChem CID 87095712) has the molecular formula C17H17ClN6O2S2 and a molecular weight of 436.95 g/mol. Its IUPAC name is N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide
PubChem CID87095712
Molecular FormulaC17H17ClN6O2S2
Molecular Weight436.95 g/mol
Exact Mass436.05
IUPAC NameN-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide
SMILESCc1cnncc1C(=O)N(C)Cc1csc(NC(=O)NCc2ccc(Cl)s2)n1
InChIInChI=1S/C17H17ClN6O2S2/c1-10-5-20-21-7-13(10)15(25)24(2)8-11-9-27-17(22-11)23-16(26)19-6-12-3-4-14(18)28-12/h3-5,7,9H,6,8H2,1-2H3,(H2,19,22,23,26)
InChIKeyHQBJJBOVTHANMN-UHFFFAOYSA-N
XLogP3.55
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethyloxane-4-carboxamide
CID 87095163
N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 90784373
N-[[5-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 66663082
(2R)-N-[[2-[(5-fluorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methyloxolane-2-carboxamide
CID 87095417
N-[[2-[(3,4-dichlorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 87095364
1-[(3,4-dichlorophenyl)methyl]-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea
CID 25051873
N-[[5-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 66663115
3-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-6-methoxy-N-methylpyridazine-4-carboxamide
CID 86661317
N-[[5-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,2,4-thiadiazol-3-yl]methyl]-N,3-dimethyl-4-oxophthalazine-1-carboxamide
CID 66663198
4-chloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylpyrazole-5-carboxamide
CID 87095221
3,6-dichloro-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide
CID 87095254
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443932

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide (CID 87095712) is N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide is Cc1cnncc1C(=O)N(C)Cc1csc(NC(=O)NCc2ccc(Cl)s2)n1.
What is the InChIKey of N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide?
The InChIKey is HQBJJBOVTHANMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O2S2/c1-10-5-20-21-7-13(10)15(25)24(2)8-11-9-27-17(22-11)23-16(26)19-6-12-3-4-14(18)28-12/h3-5,7,9H,6,8H2,1-2H3,(H2,19,22,23,26).
What are the key properties of N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide?
N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide has a molecular weight of 436.95 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,5-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 87095712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).