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

C12H17N5OS2 — CID 56705932

IUPAC2-(ethylamino)-N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)N(C)Cc2snnc2C)s1
InChIInChI=1S/C12H17N5OS2/c1-5-13-12-14-8(3)10(19-12)11(18)17(4)6-9-7(2)15-16-20-9/h5-6H2,1-4H3,(H,13,14)
InChIKeyATVIVJNWZVHGSQ-UHFFFAOYSA-N
MW311.44 g/mol
LogP2.32
Rot. Bonds5

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

2-(ethylamino)-N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 56705932) has the molecular formula C12H17N5OS2 and a molecular weight of 311.44 g/mol. Its IUPAC name is 2-(ethylamino)-N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID56705932
Molecular FormulaC12H17N5OS2
Molecular Weight311.44 g/mol
Exact Mass311.09
IUPAC Name2-(ethylamino)-N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)N(C)Cc2snnc2C)s1
InChIInChI=1S/C12H17N5OS2/c1-5-13-12-14-8(3)10(19-12)11(18)17(4)6-9-7(2)15-16-20-9/h5-6H2,1-4H3,(H,13,14)
InChIKeyATVIVJNWZVHGSQ-UHFFFAOYSA-N
XLogP2.32
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]acetamide
CID 58773020
2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 56917368
N,3,5-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 47000139
N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]furan-2-carboxamide
CID 56759688
N-ethyl-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 130667065
2-[2-(dimethylamino)propylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569882
N,2,8-trimethyl-N-[(4-methylthiadiazol-5-yl)methyl]quinoline-4-carboxamide
CID 46994897
4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116664190
4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116670593
N-(2-hydroxy-2-methylpropyl)-N,4-dimethylthiadiazole-5-carboxamide
CID 79381645
2-(ethylamino)-4-methyl-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 118762665
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide (CID 56705932) is 2-(ethylamino)-N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide is CCNc1nc(C)c(C(=O)N(C)Cc2snnc2C)s1.
What is the InChIKey of 2-(ethylamino)-N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ATVIVJNWZVHGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS2/c1-5-13-12-14-8(3)10(19-12)11(18)17(4)6-9-7(2)15-16-20-9/h5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-(ethylamino)-N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
2-(ethylamino)-N,4-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 311.44 g/mol, XLogP of 2.32, 5 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-[(4-methylthiadiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56705932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).