N-(cyclopropylmethyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclopentane-1-carboxamide

C14H22N4OS2 — CID 75378126

IUPACN-(cyclopropylmethyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclopentane-1-carboxamide
SMILESCSc1nnc(CNC2(C(=O)NCC3CC3)CCCC2)s1
InChIInChI=1S/C14H22N4OS2/c1-20-13-18-17-11(21-13)9-16-14(6-2-3-7-14)12(19)15-8-10-4-5-10/h10,16H,2-9H2,1H3,(H,15,19)
InChIKeyQMTUCTRQWROZKW-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.19
Rot. Bonds7

About N-(cyclopropylmethyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclopentane-1-carboxamide

N-(cyclopropylmethyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclopentane-1-carboxamide (PubChem CID 75378126) has the molecular formula C14H22N4OS2 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclopentane-1-carboxamide
PubChem CID75378126
Molecular FormulaC14H22N4OS2
Molecular Weight326.49 g/mol
Exact Mass326.12
IUPAC NameN-(cyclopropylmethyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclopentane-1-carboxamide
SMILESCSc1nnc(CNC2(C(=O)NCC3CC3)CCCC2)s1
InChIInChI=1S/C14H22N4OS2/c1-20-13-18-17-11(21-13)9-16-14(6-2-3-7-14)12(19)15-8-10-4-5-10/h10,16H,2-9H2,1H3,(H,15,19)
InChIKeyQMTUCTRQWROZKW-UHFFFAOYSA-N
XLogP2.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclopentane-1-carboxamide with MolForge

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Related Compounds

(3aS,6aS)-2-benzyl-N-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxamide
CID 128970629
1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylic acid
CID 115383458
1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 115383582
N-(cyclopropylmethyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 46525895
methyl 1-amino-2-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 115383581
1-amino-N-[(4-ethylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 54880967
N-[(4-hydroxycyclohexyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 114146551
1-amino-N-(cyclopentylmethyl)cyclopropane-1-carboxamide
CID 65463779
N-(cyclopropylmethyl)-1-[(2-ethoxycyclopropanecarbonyl)amino]cyclopentane-1-carboxamide
CID 71924427
2-[cyclohexyl-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methyl]amino]ethanol
CID 75370486
1-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methylamino]-N-(2,3-dihydro-1H-inden-2-ylmethyl)cyclohexane-1-carboxamide
CID 169002607
N-(cyclopropylmethyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 35164965

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclopentane-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclopentane-1-carboxamide (CID 75378126) is N-(cyclopropylmethyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclopentane-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclopentane-1-carboxamide is CSc1nnc(CNC2(C(=O)NCC3CC3)CCCC2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclopentane-1-carboxamide?
The InChIKey is QMTUCTRQWROZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS2/c1-20-13-18-17-11(21-13)9-16-14(6-2-3-7-14)12(19)15-8-10-4-5-10/h10,16H,2-9H2,1H3,(H,15,19).
What are the key properties of N-(cyclopropylmethyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclopentane-1-carboxamide?
N-(cyclopropylmethyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclopentane-1-carboxamide has a molecular weight of 326.49 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 75378126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).