2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine

C16H22N4S — CID 130834693

IUPAC2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine
SMILESCC1CCN(c2ncc(N)s2)CCN1Cc1ccccc1
InChIInChI=1S/C16H22N4S/c1-13-7-8-19(16-18-11-15(17)21-16)9-10-20(13)12-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12,17H2,1H3
InChIKeyOJHDDFKFCKEGRF-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.83
Rot. Bonds3

About 2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine

2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine (PubChem CID 130834693) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine
PubChem CID130834693
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine
SMILESCC1CCN(c2ncc(N)s2)CCN1Cc1ccccc1
InChIInChI=1S/C16H22N4S/c1-13-7-8-19(16-18-11-15(17)21-16)9-10-20(13)12-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12,17H2,1H3
InChIKeyOJHDDFKFCKEGRF-UHFFFAOYSA-N
XLogP2.83
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 133491984
4-benzyl-5-methyl-1-(2-methyl-4-pyridinyl)-1,4-diazepane
CID 133491985
5-(4-benzyl-5-methyl-1,4-diazepan-1-yl)pyrazine-2-carbonitrile
CID 133484859
4-benzyl-5-methyl-1-(6-methyl-2-pyridinyl)-1,4-diazepane
CID 133483690
4,11-dibenzyl-1,5,8,12-tetramethyl-1,4,8,11-tetrazacyclotetradecane
CID 101436229
2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)pyridine-3-carbonitrile
CID 133332499
4-benzyl-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-methyl-1,4-diazepane
CID 133461463
4-benzyl-5-methyl-1-(3-methyl-5-nitro-2-pyridinyl)-1,4-diazepane
CID 133332394
4-benzyl-5-methyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-1,4-diazepane
CID 133332497
4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
CID 56710534
2-pyrrolidin-1-yl-1,3-thiazol-5-amine
CID 66520588
2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-amine
CID 102768331

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine?
The IUPAC name of 2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine (CID 130834693) is 2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine is CC1CCN(c2ncc(N)s2)CCN1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine?
The InChIKey is OJHDDFKFCKEGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-13-7-8-19(16-18-11-15(17)21-16)9-10-20(13)12-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12,17H2,1H3.
What are the key properties of 2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine?
2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine has a molecular weight of 302.45 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-5-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 130834693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).