N-(2-aminobutyl)thiadiazole-5-carboxamide

C7H12N4OS — CID 63733239

IUPACN-(2-aminobutyl)thiadiazole-5-carboxamide
SMILESCCC(N)CNC(=O)c1cnns1
InChIInChI=1S/C7H12N4OS/c1-2-5(8)3-9-7(12)6-4-10-11-13-6/h4-5H,2-3,8H2,1H3,(H,9,12)
InChIKeyPXZFZMHAEQMVEU-UHFFFAOYSA-N
MW200.27 g/mol
LogP0.01
Rot. Bonds4

About N-(2-aminobutyl)thiadiazole-5-carboxamide

N-(2-aminobutyl)thiadiazole-5-carboxamide (PubChem CID 63733239) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is N-(2-aminobutyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminobutyl)thiadiazole-5-carboxamide
PubChem CID63733239
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC NameN-(2-aminobutyl)thiadiazole-5-carboxamide
SMILESCCC(N)CNC(=O)c1cnns1
InChIInChI=1S/C7H12N4OS/c1-2-5(8)3-9-7(12)6-4-10-11-13-6/h4-5H,2-3,8H2,1H3,(H,9,12)
InChIKeyPXZFZMHAEQMVEU-UHFFFAOYSA-N
XLogP0.01
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide
CID 102914845
N-[(2R)-2-(ethylamino)propyl]thiadiazole-5-carboxamide;hydrochloride
CID 120651512
N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide
CID 106117656
N-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide
CID 107157654
N-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide
CID 62664375
(2S)-3-methyl-2-(thiadiazole-5-carbonylamino)pentanoic acid
CID 61172933
5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid
CID 65493699
N-(1-hydroxypropan-2-yl)thiadiazole-5-carboxamide
CID 43522681
N-(2-aminobutyl)-5-bromopyridine-2-carboxamide
CID 63731150
N-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide
CID 65215199
N-(2-aminobutyl)-4-methoxythiophene-2-carboxamide
CID 81118589
N-(3-oxobutan-2-yl)thiadiazole-5-carboxamide
CID 65215720

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2-aminobutyl)thiadiazole-5-carboxamide (CID 63733239) is N-(2-aminobutyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-aminobutyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-aminobutyl)thiadiazole-5-carboxamide is CCC(N)CNC(=O)c1cnns1.
What is the InChIKey of N-(2-aminobutyl)thiadiazole-5-carboxamide?
The InChIKey is PXZFZMHAEQMVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-2-5(8)3-9-7(12)6-4-10-11-13-6/h4-5H,2-3,8H2,1H3,(H,9,12).
What are the key properties of N-(2-aminobutyl)thiadiazole-5-carboxamide?
N-(2-aminobutyl)thiadiazole-5-carboxamide has a molecular weight of 200.27 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 63733239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).