N-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine

C17H27N5S — CID 97466987

IUPACN-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine
SMILESCc1nc(CN2CCc3ncc(CN(C)C(C)C)n3CC2)cs1
InChIInChI=1S/C17H27N5S/c1-13(2)20(4)11-16-9-18-17-5-6-21(7-8-22(16)17)10-15-12-23-14(3)19-15/h9,12-13H,5-8,10-11H2,1-4H3
InChIKeyLWEVULXNHZQLKG-UHFFFAOYSA-N
MW333.51 g/mol
LogP2.55
Rot. Bonds5

About N-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine

N-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine (PubChem CID 97466987) has the molecular formula C17H27N5S and a molecular weight of 333.51 g/mol. Its IUPAC name is N-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine
PubChem CID97466987
Molecular FormulaC17H27N5S
Molecular Weight333.51 g/mol
Exact Mass333.20
IUPAC NameN-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine
SMILESCc1nc(CN2CCc3ncc(CN(C)C(C)C)n3CC2)cs1
InChIInChI=1S/C17H27N5S/c1-13(2)20(4)11-16-9-18-17-5-6-21(7-8-22(16)17)10-15-12-23-14(3)19-15/h9,12-13H,5-8,10-11H2,1-4H3
InChIKeyLWEVULXNHZQLKG-UHFFFAOYSA-N
XLogP2.55
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.51
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine (CID 97466987) is N-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine is Cc1nc(CN2CCc3ncc(CN(C)C(C)C)n3CC2)cs1.
What is the InChIKey of N-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine?
The InChIKey is LWEVULXNHZQLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5S/c1-13(2)20(4)11-16-9-18-17-5-6-21(7-8-22(16)17)10-15-12-23-14(3)19-15/h9,12-13H,5-8,10-11H2,1-4H3.
What are the key properties of N-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine?
N-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine has a molecular weight of 333.51 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 97466987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).