2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide

C14H24N4OS — CID 47073428

IUPAC2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCCN(c2nc(C)cs2)CC1
InChIInChI=1S/C14H24N4OS/c1-3-5-15-13(19)10-17-6-4-7-18(9-8-17)14-16-12(2)11-20-14/h11H,3-10H2,1-2H3,(H,15,19)
InChIKeyNJUWGWPWELUWMO-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.49
Rot. Bonds5

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

2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide (PubChem CID 47073428) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide
PubChem CID47073428
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCCN(c2nc(C)cs2)CC1
InChIInChI=1S/C14H24N4OS/c1-3-5-15-13(19)10-17-6-4-7-18(9-8-17)14-16-12(2)11-20-14/h11H,3-10H2,1-2H3,(H,15,19)
InChIKeyNJUWGWPWELUWMO-UHFFFAOYSA-N
XLogP1.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 78881717
4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide
CID 47542959
N-(1-ethylpiperidin-4-yl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 86993362
N-cyclopentyl-N-cyclopropyl-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
CID 86842773
2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60504165
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
CID 47542871
2-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-propylacetamide
CID 71988871
N-propyl-2-pyrrolidin-1-ylacetamide
CID 22117904
2-[4-(6-methylpyridine-2-carbonyl)-1,4-diazepan-1-yl]-N-propylacetamide
CID 166001796
methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 110710922
2-[4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]-N-propylacetamide
CID 134014577

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide (CID 47073428) is 2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCCN(c2nc(C)cs2)CC1.
What is the InChIKey of 2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide?
The InChIKey is NJUWGWPWELUWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-3-5-15-13(19)10-17-6-4-7-18(9-8-17)14-16-12(2)11-20-14/h11H,3-10H2,1-2H3,(H,15,19).
What are the key properties of 2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide?
2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide has a molecular weight of 296.44 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-N-propylacetamide is sourced from PubChem (CID 47073428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).