N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide

C18H18N4O2S2 — CID 86852439

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)cs1
InChIInChI=1S/C18H18N4O2S2/c1-12-19-14(11-25-12)10-22(2)17(23)15-8-9-16(26-15)21-18(24)20-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H2,20,21,24)
InChIKeyUTTOUEPNADJEDI-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.43
Rot. Bonds5

About N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide (PubChem CID 86852439) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
PubChem CID86852439
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)cs1
InChIInChI=1S/C18H18N4O2S2/c1-12-19-14(11-25-12)10-22(2)17(23)15-8-9-16(26-15)21-18(24)20-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H2,20,21,24)
InChIKeyUTTOUEPNADJEDI-UHFFFAOYSA-N
XLogP4.43
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(3-methylbutyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 86927392
N-methyl-5-(phenylcarbamoylamino)-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 78846347
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
N-(1-aminopropan-2-yl)-N-methyl-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 119582974
N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 51126802
N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(phenylcarbamoylamino)propanamide
CID 55732936
3-(2-chlorophenyl)-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47278023
N-[(3-methylphenyl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78849550
N-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78852310
4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47451144
methyl 4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]benzoate
CID 86856106
5-acetamido-N-(1,3-benzothiazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 24611300

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide (CID 86852439) is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide is Cc1nc(CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)s2)cs1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
The InChIKey is UTTOUEPNADJEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-12-19-14(11-25-12)10-22(2)17(23)15-8-9-16(26-15)21-18(24)20-13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H2,20,21,24).
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide?
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide is sourced from PubChem (CID 86852439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).