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

C13H19N5OS2 — CID 80618974

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)NC(C)c2sc(C)nc2C)s1
InChIInChI=1S/C13H19N5OS2/c1-5-6-14-13-18-17-12(21-13)11(19)16-8(3)10-7(2)15-9(4)20-10/h8H,5-6H2,1-4H3,(H,14,18)(H,16,19)
InChIKeyTXCFWMNYGGBMLR-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.92
Rot. Bonds6

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618974) has the molecular formula C13H19N5OS2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618974
Molecular FormulaC13H19N5OS2
Molecular Weight325.46 g/mol
Exact Mass325.10
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)NC(C)c2sc(C)nc2C)s1
InChIInChI=1S/C13H19N5OS2/c1-5-6-14-13-18-17-12(21-13)11(19)16-8(3)10-7(2)15-9(4)20-10/h8H,5-6H2,1-4H3,(H,14,18)(H,16,19)
InChIKeyTXCFWMNYGGBMLR-UHFFFAOYSA-N
XLogP2.92
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(propylamino)-N-(1-pyridin-4-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615811
N-[1-(4-fluorophenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618061
2-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 63681437
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 114389392
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 62232141
N-(4-methylpentyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616901
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106377361
N-[2-(tert-butylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 115357213
N-[2-(ethylamino)-2-oxoethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615555
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-dihydroxybenzamide
CID 104938902
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 79801901
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61193122

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80618974) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)NC(C)c2sc(C)nc2C)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is TXCFWMNYGGBMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS2/c1-5-6-14-13-18-17-12(21-13)11(19)16-8(3)10-7(2)15-9(4)20-10/h8H,5-6H2,1-4H3,(H,14,18)(H,16,19).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).