(2-amino-1,3-thiazol-4-yl)-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone

C16H24N4O3S — CID 137342240

IUPAC(2-amino-1,3-thiazol-4-yl)-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone
SMILESCOCC1(C(=O)N2CCCN(C(=O)c3csc(N)n3)CC2)CCC1
InChIInChI=1S/C16H24N4O3S/c1-23-11-16(4-2-5-16)14(22)20-7-3-6-19(8-9-20)13(21)12-10-24-15(17)18-12/h10H,2-9,11H2,1H3,(H2,17,18)
InChIKeyHHYNVCDOHFRROJ-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.22
Rot. Bonds4

About (2-amino-1,3-thiazol-4-yl)-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone

(2-amino-1,3-thiazol-4-yl)-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone (PubChem CID 137342240) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-4-yl)-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-4-yl)-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone
PubChem CID137342240
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name(2-amino-1,3-thiazol-4-yl)-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone
SMILESCOCC1(C(=O)N2CCCN(C(=O)c3csc(N)n3)CC2)CCC1
InChIInChI=1S/C16H24N4O3S/c1-23-11-16(4-2-5-16)14(22)20-7-3-6-19(8-9-20)13(21)12-10-24-15(17)18-12/h10H,2-9,11H2,1H3,(H2,17,18)
InChIKeyHHYNVCDOHFRROJ-UHFFFAOYSA-N
XLogP1.22
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977856
(2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 62788252
(2-amino-1,3-thiazol-4-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102957562
2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid
CID 62787048
[4-[4-(methoxymethyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120624280
2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 62789109
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid
CID 62787216
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546
[1-(methoxymethyl)cyclobutyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165747
1-[4-(2-amino-1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 135118389

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-4-yl)-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of (2-amino-1,3-thiazol-4-yl)-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone (CID 137342240) is (2-amino-1,3-thiazol-4-yl)-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-4-yl)-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (2-amino-1,3-thiazol-4-yl)-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone is COCC1(C(=O)N2CCCN(C(=O)c3csc(N)n3)CC2)CCC1.
What is the InChIKey of (2-amino-1,3-thiazol-4-yl)-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is HHYNVCDOHFRROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-23-11-16(4-2-5-16)14(22)20-7-3-6-19(8-9-20)13(21)12-10-24-15(17)18-12/h10H,2-9,11H2,1H3,(H2,17,18).
What are the key properties of (2-amino-1,3-thiazol-4-yl)-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone?
(2-amino-1,3-thiazol-4-yl)-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 352.46 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-4-yl)-[4-[1-(methoxymethyl)cyclobutanecarbonyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 137342240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).