4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole

C14H25N3S — CID 64944057

IUPAC4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCC1(CC)CN(Cc2csc(C)n2)CCCN1
InChIInChI=1S/C14H25N3S/c1-4-14(5-2)11-17(8-6-7-15-14)9-13-10-18-12(3)16-13/h10,15H,4-9,11H2,1-3H3
InChIKeySFYAYQFEXNUBKK-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.81
Rot. Bonds4

About 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole

4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole (PubChem CID 64944057) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole
PubChem CID64944057
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole
SMILESCCC1(CC)CN(Cc2csc(C)n2)CCCN1
InChIInChI=1S/C14H25N3S/c1-4-14(5-2)11-17(8-6-7-15-14)9-13-10-18-12(3)16-13/h10,15H,4-9,11H2,1-3H3
InChIKeySFYAYQFEXNUBKK-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-diethyl-1-[(1-methylpyrazol-3-yl)methyl]-1,4-diazepane
CID 82870894
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
4-[2-(6,10-diazaspiro[4.6]undecan-10-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043606
3,3-diethyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64870349
3,3-diethyl-1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane
CID 64869758
4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 79238563
3,3-diethyl-1-[(3-methyl-4-pyridinyl)methyl]-1,4-diazepane
CID 114702003
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 83074139
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
(5R)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
CID 97489971

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole (CID 64944057) is 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole is CCC1(CC)CN(Cc2csc(C)n2)CCCN1.
What is the InChIKey of 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole?
The InChIKey is SFYAYQFEXNUBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-14(5-2)11-17(8-6-7-15-14)9-13-10-18-12(3)16-13/h10,15H,4-9,11H2,1-3H3.
What are the key properties of 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole?
4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole has a molecular weight of 267.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-diethyl-1,4-diazepan-1-yl)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 64944057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).