N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide

C19H30N4OS — CID 86842773

IUPACN-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
SMILESCc1csc(N2CCCN(CC(=O)N(C3CCCC3)C3CC3)CC2)n1
InChIInChI=1S/C19H30N4OS/c1-15-14-25-19(20-15)22-10-4-9-21(11-12-22)13-18(24)23(17-7-8-17)16-5-2-3-6-16/h14,16-17H,2-13H2,1H3
InChIKeyKAXKGWUODLLNGH-UHFFFAOYSA-N
MW362.54 g/mol
LogP2.90
Rot. Bonds5

About N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide

N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide (PubChem CID 86842773) has the molecular formula C19H30N4OS and a molecular weight of 362.54 g/mol. Its IUPAC name is N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
PubChem CID86842773
Molecular FormulaC19H30N4OS
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC NameN-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
SMILESCc1csc(N2CCCN(CC(=O)N(C3CCCC3)C3CC3)CC2)n1
InChIInChI=1S/C19H30N4OS/c1-15-14-25-19(20-15)22-10-4-9-21(11-12-22)13-18(24)23(17-7-8-17)16-5-2-3-6-16/h14,16-17H,2-13H2,1H3
InChIKeyKAXKGWUODLLNGH-UHFFFAOYSA-N
XLogP2.90
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide with MolForge

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Related Compounds

N-carbamoyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
CID 47073429
2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide
CID 47073428
4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide
CID 47542959
N-cyclopentyl-N-cyclopropyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 60504984
N-(1-ethylpiperidin-4-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 86993362
cyclohexyl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 110710911
(3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30078408
2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60504165
2-methyl-3-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 60870262
[3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]oxetan-3-yl]methanol
CID 97030483
N-cyclohexyl-N-cyclopropyl-2-(4-methylsulfonyl-1,4-diazepan-1-yl)acetamide
CID 24998697
2-[4-(4-chloro-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 83152482

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide (CID 86842773) is N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide is Cc1csc(N2CCCN(CC(=O)N(C3CCCC3)C3CC3)CC2)n1.
What is the InChIKey of N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is KAXKGWUODLLNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4OS/c1-15-14-25-19(20-15)22-10-4-9-21(11-12-22)13-18(24)23(17-7-8-17)16-5-2-3-6-16/h14,16-17H,2-13H2,1H3.
What are the key properties of N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide?
N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 362.54 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 86842773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).