N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine

C19H23N5S — CID 56907273

IUPACN-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine
SMILESCN(Cc1cc2n(n1)CCCNC2)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H23N5S/c1-23(12-16-10-17-11-20-8-5-9-24(17)22-16)13-19-21-18(14-25-19)15-6-3-2-4-7-15/h2-4,6-7,10,14,20H,5,8-9,11-13H2,1H3
InChIKeyNBIODSUCIDOGOA-UHFFFAOYSA-N
MW353.50 g/mol
LogP3.13
Rot. Bonds5

About N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine

N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine (PubChem CID 56907273) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine
PubChem CID56907273
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC NameN-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine
SMILESCN(Cc1cc2n(n1)CCCNC2)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H23N5S/c1-23(12-16-10-17-11-20-8-5-9-24(17)22-16)13-19-21-18(14-25-19)15-6-3-2-4-7-15/h2-4,6-7,10,14,20H,5,8-9,11-13H2,1H3
InChIKeyNBIODSUCIDOGOA-UHFFFAOYSA-N
XLogP3.13
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine?
The IUPAC name of N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine (CID 56907273) is N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine?
The canonical SMILES for N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine is CN(Cc1cc2n(n1)CCCNC2)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine?
The InChIKey is NBIODSUCIDOGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c1-23(12-16-10-17-11-20-8-5-9-24(17)22-16)13-19-21-18(14-25-19)15-6-3-2-4-7-15/h2-4,6-7,10,14,20H,5,8-9,11-13H2,1H3.
What are the key properties of N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine?
N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine has a molecular weight of 353.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanamine is sourced from PubChem (CID 56907273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).