N-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide

C8H14N4OS — CID 62664375

IUPACN-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide
SMILESCC(C)NCCNC(=O)c1cnns1
InChIInChI=1S/C8H14N4OS/c1-6(2)9-3-4-10-8(13)7-5-11-12-14-7/h5-6,9H,3-4H2,1-2H3,(H,10,13)
InChIKeyKPBVYVZUBRZYBW-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.27
Rot. Bonds5

About N-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide

N-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide (PubChem CID 62664375) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide
PubChem CID62664375
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide
SMILESCC(C)NCCNC(=O)c1cnns1
InChIInChI=1S/C8H14N4OS/c1-6(2)9-3-4-10-8(13)7-5-11-12-14-7/h5-6,9H,3-4H2,1-2H3,(H,10,13)
InChIKeyKPBVYVZUBRZYBW-UHFFFAOYSA-N
XLogP0.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.27
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

N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 103931770
N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide
CID 102914845
N-[(2R)-2-(ethylamino)propyl]thiadiazole-5-carboxamide;hydrochloride
CID 120651512
(2S)-2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid
CID 107834372
2-hydroxy-4-(thiadiazole-5-carbonylamino)butanoic acid
CID 107832176
N-(3-amino-3-sulfanylidenepropyl)thiadiazole-5-carboxamide
CID 65215199
N-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide
CID 107157654
N-(2-aminobutyl)thiadiazole-5-carboxamide
CID 63733239
(2S)-4-methyl-2-[[2-(thiadiazole-5-carbonylamino)acetyl]amino]pentanoic acid
CID 120695799
N-(3-oxobutan-2-yl)thiadiazole-5-carboxamide
CID 65215720
5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid
CID 65493699
N-(2-methylpropoxy)thiadiazole-5-carboxamide
CID 115410126

Frequently Asked Questions

What is the IUPAC name of N-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide (CID 62664375) is N-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide is CC(C)NCCNC(=O)c1cnns1.
What is the InChIKey of N-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide?
The InChIKey is KPBVYVZUBRZYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-6(2)9-3-4-10-8(13)7-5-11-12-14-7/h5-6,9H,3-4H2,1-2H3,(H,10,13).
What are the key properties of N-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide?
N-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylamino)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 62664375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).