N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide

C12H20N4OS — CID 65210069

IUPACN-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCCNC1CC1
InChIInChI=1S/C12H20N4OS/c1-2-4-10-11(18-16-15-10)12(17)14-8-3-7-13-9-5-6-9/h9,13H,2-8H2,1H3,(H,14,17)
InChIKeySPLFEMLREUFKID-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.36
Rot. Bonds8

About N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide

N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 65210069) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide
PubChem CID65210069
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCCNC1CC1
InChIInChI=1S/C12H20N4OS/c1-2-4-10-11(18-16-15-10)12(17)14-8-3-7-13-9-5-6-9/h9,13H,2-8H2,1H3,(H,14,17)
InChIKeySPLFEMLREUFKID-UHFFFAOYSA-N
XLogP1.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.36
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-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
CID 107843629
5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205051
N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide
CID 79110286
3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033078
4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 65210223
N-(3-bromobutyl)-4-propylthiadiazole-5-carboxamide
CID 114312667
N-(2-piperidin-4-yloxyethyl)-4-propylthiadiazole-5-carboxamide
CID 65209885
N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide
CID 114297929
N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
CID 114308874
4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
CID 47123940
4-propyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiadiazole-5-carboxamide
CID 71787081
N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide
CID 65204874

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide (CID 65210069) is N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCCCNC1CC1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is SPLFEMLREUFKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-2-4-10-11(18-16-15-10)12(17)14-8-3-7-13-9-5-6-9/h9,13H,2-8H2,1H3,(H,14,17).
What are the key properties of N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide?
N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65210069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).