2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide

C16H18N4OS3 — CID 56917368

IUPAC2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)N(C)Cc2csc(-c3cccs3)n2)s1
InChIInChI=1S/C16H18N4OS3/c1-4-17-16-18-10(2)13(24-16)15(21)20(3)8-11-9-23-14(19-11)12-6-5-7-22-12/h5-7,9H,4,8H2,1-3H3,(H,17,18)
InChIKeyYAEOKIAPFUDVPV-UHFFFAOYSA-N
MW378.55 g/mol
LogP4.34
Rot. Bonds6

About 2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide

2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 56917368) has the molecular formula C16H18N4OS3 and a molecular weight of 378.55 g/mol. Its IUPAC name is 2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID56917368
Molecular FormulaC16H18N4OS3
Molecular Weight378.55 g/mol
Exact Mass378.06
IUPAC Name2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)N(C)Cc2csc(-c3cccs3)n2)s1
InChIInChI=1S/C16H18N4OS3/c1-4-17-16-18-10(2)13(24-16)15(21)20(3)8-11-9-23-14(19-11)12-6-5-7-22-12/h5-7,9H,4,8H2,1-3H3,(H,17,18)
InChIKeyYAEOKIAPFUDVPV-UHFFFAOYSA-N
XLogP4.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide (CID 56917368) is 2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide is CCNc1nc(C)c(C(=O)N(C)Cc2csc(-c3cccs3)n2)s1.
What is the InChIKey of 2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YAEOKIAPFUDVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS3/c1-4-17-16-18-10(2)13(24-16)15(21)20(3)8-11-9-23-14(19-11)12-6-5-7-22-12/h5-7,9H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 378.55 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56917368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).