N,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine

C17H25N5S — CID 86791560

IUPACN,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine
SMILESCc1csc(N2CCCN(Cc3cnccc3N(C)C)CC2)n1
InChIInChI=1S/C17H25N5S/c1-14-13-23-17(19-14)22-8-4-7-21(9-10-22)12-15-11-18-6-5-16(15)20(2)3/h5-6,11,13H,4,7-10,12H2,1-3H3
InChIKeyJQYZZVYWVMHYCH-UHFFFAOYSA-N
MW331.49 g/mol
LogP2.62
Rot. Bonds4

About N,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine

N,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine (PubChem CID 86791560) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is N,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine
PubChem CID86791560
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC NameN,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine
SMILESCc1csc(N2CCCN(Cc3cnccc3N(C)C)CC2)n1
InChIInChI=1S/C17H25N5S/c1-14-13-23-17(19-14)22-8-4-7-21(9-10-22)12-15-11-18-6-5-16(15)20(2)3/h5-6,11,13H,4,7-10,12H2,1-3H3
InChIKeyJQYZZVYWVMHYCH-UHFFFAOYSA-N
XLogP2.62
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine?
The IUPAC name of N,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine (CID 86791560) is N,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine.
What is the SMILES notation for N,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine?
The canonical SMILES for N,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine is Cc1csc(N2CCCN(Cc3cnccc3N(C)C)CC2)n1.
What is the InChIKey of N,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine?
The InChIKey is JQYZZVYWVMHYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5S/c1-14-13-23-17(19-14)22-8-4-7-21(9-10-22)12-15-11-18-6-5-16(15)20(2)3/h5-6,11,13H,4,7-10,12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine?
N,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine has a molecular weight of 331.49 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]pyridin-4-amine is sourced from PubChem (CID 86791560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).