[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

C15H28N4S — CID 114362005

IUPAC[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(C2CN(C)CCCN2C)sc1CN
InChIInChI=1S/C15H28N4S/c1-11(2)8-12-14(9-16)20-15(17-12)13-10-18(3)6-5-7-19(13)4/h11,13H,5-10,16H2,1-4H3
InChIKeyFBSCTHOGNDQNRZ-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.11
Rot. Bonds4

About [2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114362005) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is [2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114362005
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC Name[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)Cc1nc(C2CN(C)CCCN2C)sc1CN
InChIInChI=1S/C15H28N4S/c1-11(2)8-12-14(9-16)20-15(17-12)13-10-18(3)6-5-7-19(13)4/h11,13H,5-10,16H2,1-4H3
InChIKeyFBSCTHOGNDQNRZ-UHFFFAOYSA-N
XLogP2.11
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (CID 114362005) is [2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is CC(C)Cc1nc(C2CN(C)CCCN2C)sc1CN.
What is the InChIKey of [2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is FBSCTHOGNDQNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-11(2)8-12-14(9-16)20-15(17-12)13-10-18(3)6-5-7-19(13)4/h11,13H,5-10,16H2,1-4H3.
What are the key properties of [2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 296.48 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).