N-(cyclopropylmethyl)-1-(thiadiazol-4-ylmethylamino)cyclopentane-1-carboxamide

C13H20N4OS — CID 86802133

IUPACN-(cyclopropylmethyl)-1-(thiadiazol-4-ylmethylamino)cyclopentane-1-carboxamide
SMILESO=C(NCC1CC1)C1(NCc2csnn2)CCCC1
InChIInChI=1S/C13H20N4OS/c18-12(14-7-10-3-4-10)13(5-1-2-6-13)15-8-11-9-19-17-16-11/h9-10,15H,1-8H2,(H,14,18)
InChIKeyCIWJEMXVIFCYDW-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.47
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(thiadiazol-4-ylmethylamino)cyclopentane-1-carboxamide

N-(cyclopropylmethyl)-1-(thiadiazol-4-ylmethylamino)cyclopentane-1-carboxamide (PubChem CID 86802133) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(thiadiazol-4-ylmethylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(thiadiazol-4-ylmethylamino)cyclopentane-1-carboxamide
PubChem CID86802133
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-(cyclopropylmethyl)-1-(thiadiazol-4-ylmethylamino)cyclopentane-1-carboxamide
SMILESO=C(NCC1CC1)C1(NCc2csnn2)CCCC1
InChIInChI=1S/C13H20N4OS/c18-12(14-7-10-3-4-10)13(5-1-2-6-13)15-8-11-9-19-17-16-11/h9-10,15H,1-8H2,(H,14,18)
InChIKeyCIWJEMXVIFCYDW-UHFFFAOYSA-N
XLogP1.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(thiadiazol-4-ylmethylamino)cyclopentane-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(thiadiazol-4-ylmethylamino)cyclopentane-1-carboxamide (CID 86802133) is N-(cyclopropylmethyl)-1-(thiadiazol-4-ylmethylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(thiadiazol-4-ylmethylamino)cyclopentane-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(thiadiazol-4-ylmethylamino)cyclopentane-1-carboxamide is O=C(NCC1CC1)C1(NCc2csnn2)CCCC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(thiadiazol-4-ylmethylamino)cyclopentane-1-carboxamide?
The InChIKey is CIWJEMXVIFCYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c18-12(14-7-10-3-4-10)13(5-1-2-6-13)15-8-11-9-19-17-16-11/h9-10,15H,1-8H2,(H,14,18).
What are the key properties of N-(cyclopropylmethyl)-1-(thiadiazol-4-ylmethylamino)cyclopentane-1-carboxamide?
N-(cyclopropylmethyl)-1-(thiadiazol-4-ylmethylamino)cyclopentane-1-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(thiadiazol-4-ylmethylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 86802133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).