7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride

C13H25ClN4OS — CID 119677029

IUPAC7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride
SMILESCC(C)Cc1nnc(NC(=O)CCCCCCN)s1.Cl
InChIInChI=1S/C13H24N4OS.ClH/c1-10(2)9-12-16-17-13(19-12)15-11(18)7-5-3-4-6-8-14;/h10H,3-9,14H2,1-2H3,(H,15,17,18);1H
InChIKeySIVBFRWQIZSCIF-UHFFFAOYSA-N
MW320.89 g/mol
LogP3.01
Rot. Bonds9

About 7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride

7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride (PubChem CID 119677029) has the molecular formula C13H25ClN4OS and a molecular weight of 320.89 g/mol. Its IUPAC name is 7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride
PubChem CID119677029
Molecular FormulaC13H25ClN4OS
Molecular Weight320.89 g/mol
Exact Mass320.14
IUPAC Name7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride
SMILESCC(C)Cc1nnc(NC(=O)CCCCCCN)s1.Cl
InChIInChI=1S/C13H24N4OS.ClH/c1-10(2)9-12-16-17-13(19-12)15-11(18)7-5-3-4-6-8-14;/h10H,3-9,14H2,1-2H3,(H,15,17,18);1H
InChIKeySIVBFRWQIZSCIF-UHFFFAOYSA-N
XLogP3.01
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 103601483
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 825378
2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91654516
2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110459577
7-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride
CID 119807008
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-[5-[3-[4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
CID 4756299
3-amino-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 103580701
1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide
CID 106261056
N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide
CID 1399795
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119274458
(Z)-4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 24836004

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride (CID 119677029) is 7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride is CC(C)Cc1nnc(NC(=O)CCCCCCN)s1.Cl.
What is the InChIKey of 7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride?
The InChIKey is SIVBFRWQIZSCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS.ClH/c1-10(2)9-12-16-17-13(19-12)15-11(18)7-5-3-4-6-8-14;/h10H,3-9,14H2,1-2H3,(H,15,17,18);1H.
What are the key properties of 7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride?
7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride has a molecular weight of 320.89 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride is sourced from PubChem (CID 119677029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).