N-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide

C14H23N5OS — CID 71870015

IUPACN-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
SMILESCCc1nsc(N2CCCN(C(=O)NCC3CC3)CC2)n1
InChIInChI=1S/C14H23N5OS/c1-2-12-16-14(21-17-12)19-7-3-6-18(8-9-19)13(20)15-10-11-4-5-11/h11H,2-10H2,1H3,(H,15,20)
InChIKeyAHSFTEOSPGHLNF-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.73
Rot. Bonds4

About N-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide

N-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide (PubChem CID 71870015) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
PubChem CID71870015
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC NameN-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
SMILESCCc1nsc(N2CCCN(C(=O)NCC3CC3)CC2)n1
InChIInChI=1S/C14H23N5OS/c1-2-12-16-14(21-17-12)19-7-3-6-18(8-9-19)13(20)15-10-11-4-5-11/h11H,2-10H2,1H3,(H,15,20)
InChIKeyAHSFTEOSPGHLNF-UHFFFAOYSA-N
XLogP1.73
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Cyclopropyl-5-(4-methyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole
CID 71924245
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
CID 71913844
N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925917
3-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 75520974
1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 97092985
4-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]butan-1-amine
CID 65268137
2-Methyl-3-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 65268193
2-Methyl-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 65270078
3-[4-(3-Propyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 65270181
N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N'-ethylpropane-1,3-diamine
CID 65270229
3-[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 65270231
3-[4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 65270233

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide (CID 71870015) is N-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide is CCc1nsc(N2CCCN(C(=O)NCC3CC3)CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide?
The InChIKey is AHSFTEOSPGHLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-2-12-16-14(21-17-12)19-7-3-6-18(8-9-19)13(20)15-10-11-4-5-11/h11H,2-10H2,1H3,(H,15,20).
What are the key properties of N-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide?
N-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 71870015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).