4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide

C18H28N4O3S — CID 59143398

IUPAC4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)s1
InChIInChI=1S/C18H28N4O3S/c1-13(2)15-12-19-17(26-15)20-18(24)22-7-3-6-21(8-9-22)16(23)14-4-10-25-11-5-14/h12-14H,3-11H2,1-2H3,(H,19,20,24)
InChIKeyTZDJXVCJMQIEOE-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.76
Rot. Bonds3

About 4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide

4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide (PubChem CID 59143398) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
PubChem CID59143398
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)s1
InChIInChI=1S/C18H28N4O3S/c1-13(2)15-12-19-17(26-15)20-18(24)22-7-3-6-21(8-9-22)16(23)14-4-10-25-11-5-14/h12-14H,3-11H2,1-2H3,(H,19,20,24)
InChIKeyTZDJXVCJMQIEOE-UHFFFAOYSA-N
XLogP2.76
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 122147137
4-(3-morpholin-4-ylpropyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 126775773
N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 84587563
4-[(4-fluorophenyl)-hydroxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 22559623
N-(5-ethyl-1,3-thiazol-2-yl)-4-(oxan-4-yl)piperazine-1-carboxamide
CID 126795862
(2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124624197
N-[3-(2-methylbutan-2-yl)-1,2-oxazol-5-yl]-4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxamide
CID 59143333
4-(oxane-4-carbonyl)-N-(5-phenyl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
CID 54581476
(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124890686
N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 87638926
(2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124624168
4-(cyclopropanecarbonyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-1,4-diazepane-1-carboxamide
CID 119034514

Frequently Asked Questions

What is the IUPAC name of 4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide (CID 59143398) is 4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide is CC(C)c1cnc(NC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)s1.
What is the InChIKey of 4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide?
The InChIKey is TZDJXVCJMQIEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-13(2)15-12-19-17(26-15)20-18(24)22-7-3-6-21(8-9-22)16(23)14-4-10-25-11-5-14/h12-14H,3-11H2,1-2H3,(H,19,20,24).
What are the key properties of 4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide?
4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 59143398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).