N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide

C13H18N4OS2 — CID 136540322

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1cnc(CN(C)C(=O)c2nnc(C(C)C)s2)s1
InChIInChI=1S/C13H18N4OS2/c1-5-9-6-14-10(19-9)7-17(4)13(18)12-16-15-11(20-12)8(2)3/h6,8H,5,7H2,1-4H3
InChIKeyBMPNAHIZQUKAMC-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.95
Rot. Bonds5

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 136540322) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
PubChem CID136540322
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1cnc(CN(C)C(=O)c2nnc(C(C)C)s2)s1
InChIInChI=1S/C13H18N4OS2/c1-5-9-6-14-10(19-9)7-17(4)13(18)12-16-15-11(20-12)8(2)3/h6,8H,5,7H2,1-4H3
InChIKeyBMPNAHIZQUKAMC-UHFFFAOYSA-N
XLogP2.95
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
CID 132301026
[2-(Dimethylamino)pyrrolidin-1-yl]-(5-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 91487454
N-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 134343270
1-[4-(5-Propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazolidin-3-yl]ethanone
CID 141979720
1-[2-(5-Propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 141979730
5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80626040
5-chloro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 105908759
5-chloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 105908858
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 105924508
5-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 113387177
5-amino-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 113387509
5-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 114129336

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide (CID 136540322) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide is CCc1cnc(CN(C)C(=O)c2nnc(C(C)C)s2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is BMPNAHIZQUKAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-5-9-6-14-10(19-9)7-17(4)13(18)12-16-15-11(20-12)8(2)3/h6,8H,5,7H2,1-4H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 310.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 136540322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).