N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine

C14H21N5S — CID 97466922

IUPACN,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine
SMILESCN(C)Cc1cnc2n1CCN(Cc1nccs1)CC2
InChIInChI=1S/C14H21N5S/c1-17(2)10-12-9-16-13-3-5-18(6-7-19(12)13)11-14-15-4-8-20-14/h4,8-9H,3,5-7,10-11H2,1-2H3
InChIKeyUPCUDNQNIKFSGR-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.46
Rot. Bonds4

About N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine

N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine (PubChem CID 97466922) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine
PubChem CID97466922
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC NameN,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine
SMILESCN(C)Cc1cnc2n1CCN(Cc1nccs1)CC2
InChIInChI=1S/C14H21N5S/c1-17(2)10-12-9-16-13-3-5-18(6-7-19(12)13)11-14-15-4-8-20-14/h4,8-9H,3,5-7,10-11H2,1-2H3
InChIKeyUPCUDNQNIKFSGR-UHFFFAOYSA-N
XLogP1.46
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine (CID 97466922) is N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine is CN(C)Cc1cnc2n1CCN(Cc1nccs1)CC2.
What is the InChIKey of N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine?
The InChIKey is UPCUDNQNIKFSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-17(2)10-12-9-16-13-3-5-18(6-7-19(12)13)11-14-15-4-8-20-14/h4,8-9H,3,5-7,10-11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine?
N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine has a molecular weight of 291.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[7-(1,3-thiazol-2-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methanamine is sourced from PubChem (CID 97466922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).