N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutylamino)-1,3-thiazole-4-carboxamide

C13H19N5O2S2 — CID 51043896

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutylamino)-1,3-thiazole-4-carboxamide
SMILESCOCc1nnc(NC(=O)c2csc(NCCC(C)C)n2)s1
InChIInChI=1S/C13H19N5O2S2/c1-8(2)4-5-14-12-15-9(7-21-12)11(19)16-13-18-17-10(22-13)6-20-3/h7-8H,4-6H2,1-3H3,(H,14,15)(H,16,18,19)
InChIKeyQDNTWTLBAVUPQZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.85
Rot. Bonds8

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutylamino)-1,3-thiazole-4-carboxamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutylamino)-1,3-thiazole-4-carboxamide (PubChem CID 51043896) has the molecular formula C13H19N5O2S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutylamino)-1,3-thiazole-4-carboxamide
PubChem CID51043896
Molecular FormulaC13H19N5O2S2
Molecular Weight341.46 g/mol
Exact Mass341.10
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutylamino)-1,3-thiazole-4-carboxamide
SMILESCOCc1nnc(NC(=O)c2csc(NCCC(C)C)n2)s1
InChIInChI=1S/C13H19N5O2S2/c1-8(2)4-5-14-12-15-9(7-21-12)11(19)16-13-18-17-10(22-13)6-20-3/h7-8H,4-6H2,1-3H3,(H,14,15)(H,16,18,19)
InChIKeyQDNTWTLBAVUPQZ-UHFFFAOYSA-N
XLogP2.85
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 84561012
ethyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate
CID 78907467
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
CID 19224449
(2R)-2-chloro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 92660576
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 734582
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate
CID 40820526
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 2932790
2-(2-aminoethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 107641921
2-(aminomethyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119688142
2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 48574705
4-chloro-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 83153720
2-(1,3-benzodioxol-5-ylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 84560461

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutylamino)-1,3-thiazole-4-carboxamide (CID 51043896) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutylamino)-1,3-thiazole-4-carboxamide is COCc1nnc(NC(=O)c2csc(NCCC(C)C)n2)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is QDNTWTLBAVUPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S2/c1-8(2)4-5-14-12-15-9(7-21-12)11(19)16-13-18-17-10(22-13)6-20-3/h7-8H,4-6H2,1-3H3,(H,14,15)(H,16,18,19).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutylamino)-1,3-thiazole-4-carboxamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylbutylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51043896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).