(2R)-N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide

C14H23N5OS — CID 98791755

IUPAC(2R)-N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide
SMILESCc1nsc(N2CCCN([C@H](C)C(=O)NC3CC3)CC2)n1
InChIInChI=1S/C14H23N5OS/c1-10(13(20)16-12-4-5-12)18-6-3-7-19(9-8-18)14-15-11(2)17-21-14/h10,12H,3-9H2,1-2H3,(H,16,20)/t10-/m1/s1
InChIKeyWFSCQMFHZLARPX-SNVBAGLBSA-N
MW309.44 g/mol
LogP1.03
Rot. Bonds4

About (2R)-N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide

(2R)-N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide (PubChem CID 98791755) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide
PubChem CID98791755
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name(2R)-N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide
SMILESCc1nsc(N2CCCN([C@H](C)C(=O)NC3CC3)CC2)n1
InChIInChI=1S/C14H23N5OS/c1-10(13(20)16-12-4-5-12)18-6-3-7-19(9-8-18)14-15-11(2)17-21-14/h10,12H,3-9H2,1-2H3,(H,16,20)/t10-/m1/s1
InChIKeyWFSCQMFHZLARPX-SNVBAGLBSA-N
XLogP1.03
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924181
N-cyclopropyl-2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 71925886
N-cyclopropyl-N-ethyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925922
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
CID 71913844
N-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925915
N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925917
(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 75496009
1-Methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 91643484
1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 97092985
(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide
CID 124596954
N,N-diethyl-2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]acetamide
CID 125423902

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide (CID 98791755) is (2R)-N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide is Cc1nsc(N2CCCN([C@H](C)C(=O)NC3CC3)CC2)n1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide?
The InChIKey is WFSCQMFHZLARPX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-10(13(20)16-12-4-5-12)18-6-3-7-19(9-8-18)14-15-11(2)17-21-14/h10,12H,3-9H2,1-2H3,(H,16,20)/t10-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide?
(2R)-N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide has a molecular weight of 309.44 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide is sourced from PubChem (CID 98791755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).