N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine

C17H25N5S — CID 53498601

IUPACN,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine
SMILESCN(C)c1ncc(CNC2CCN(Cc3ccccn3)CC2)s1
InChIInChI=1S/C17H25N5S/c1-21(2)17-20-12-16(23-17)11-19-14-6-9-22(10-7-14)13-15-5-3-4-8-18-15/h3-5,8,12,14,19H,6-7,9-11,13H2,1-2H3
InChIKeyBRWJXEGTPLREBP-UHFFFAOYSA-N
MW331.49 g/mol
LogP2.36
Rot. Bonds6

About N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine

N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine (PubChem CID 53498601) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine
PubChem CID53498601
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC NameN,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine
SMILESCN(C)c1ncc(CNC2CCN(Cc3ccccn3)CC2)s1
InChIInChI=1S/C17H25N5S/c1-21(2)17-20-12-16(23-17)11-19-14-6-9-22(10-7-14)13-15-5-3-4-8-18-15/h3-5,8,12,14,19H,6-7,9-11,13H2,1-2H3
InChIKeyBRWJXEGTPLREBP-UHFFFAOYSA-N
XLogP2.36
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 51105129
N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 100675626
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
4-(dimethylsulfamoylamino)-1-(pyridin-2-ylmethyl)azepane
CID 70787701
N-[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanesulfonamide
CID 70716729
N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 47052476
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 42241236
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 115676041
1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65072640
N-propyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 60860967

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine (CID 53498601) is N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine is CN(C)c1ncc(CNC2CCN(Cc3ccccn3)CC2)s1.
What is the InChIKey of N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is BRWJXEGTPLREBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5S/c1-21(2)17-20-12-16(23-17)11-19-14-6-9-22(10-7-14)13-15-5-3-4-8-18-15/h3-5,8,12,14,19H,6-7,9-11,13H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine?
N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 331.49 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 53498601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).