1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine

C15H28N4S — CID 114364710

IUPAC1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2CN(C)CCCN2C)nc1C(C)C
InChIInChI=1S/C15H28N4S/c1-11(2)14-13(9-16-3)20-15(17-14)12-10-18(4)7-6-8-19(12)5/h11-12,16H,6-10H2,1-5H3
InChIKeyIZMHNUGEOHUYKE-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.29
Rot. Bonds4

About 1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114364710) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114364710
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC Name1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(C2CN(C)CCCN2C)nc1C(C)C
InChIInChI=1S/C15H28N4S/c1-11(2)14-13(9-16-3)20-15(17-14)12-10-18(4)7-6-8-19(12)5/h11-12,16H,6-10H2,1-5H3
InChIKeyIZMHNUGEOHUYKE-UHFFFAOYSA-N
XLogP2.29
TPSA31.40 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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362005
N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395531
N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79395878
N-methyl-1-[2-[2-(4-methylpiperazin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82435477
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 115562464
[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 104840997
N-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104842031
N-methyl-1-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)methanamine
CID 82433530
N-[[2-(1,4-dimethylpiperazin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364492
N-(cyclopropylmethyl)-5-(methylaminomethyl)-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79393368
1-[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 102968508
N-cyclopropyl-N-(cyclopropylmethyl)-5-(methylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393524

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114364710) is 1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(C2CN(C)CCCN2C)nc1C(C)C.
What is the InChIKey of 1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is IZMHNUGEOHUYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-11(2)14-13(9-16-3)20-15(17-14)12-10-18(4)7-6-8-19(12)5/h11-12,16H,6-10H2,1-5H3.
What are the key properties of 1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 296.48 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114364710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).