N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine

C20H24N4S2 — CID 133372614

IUPACN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1nc(CN2CCC(CNc3nc(-c4ccccc4)cs3)CC2)cs1
InChIInChI=1S/C20H24N4S2/c1-15-22-18(13-25-15)12-24-9-7-16(8-10-24)11-21-20-23-19(14-26-20)17-5-3-2-4-6-17/h2-6,13-14,16H,7-12H2,1H3,(H,21,23)
InChIKeyMDONIWYUIHQOMS-UHFFFAOYSA-N
MW384.57 g/mol
LogP4.90
Rot. Bonds6

About N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine

N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 133372614) has the molecular formula C20H24N4S2 and a molecular weight of 384.57 g/mol. Its IUPAC name is N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID133372614
Molecular FormulaC20H24N4S2
Molecular Weight384.57 g/mol
Exact Mass384.14
IUPAC NameN-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1nc(CN2CCC(CNc3nc(-c4ccccc4)cs3)CC2)cs1
InChIInChI=1S/C20H24N4S2/c1-15-22-18(13-25-15)12-24-9-7-16(8-10-24)11-21-20-23-19(14-26-20)17-5-3-2-4-6-17/h2-6,13-14,16H,7-12H2,1H3,(H,21,23)
InChIKeyMDONIWYUIHQOMS-UHFFFAOYSA-N
XLogP4.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 63250806
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 55258935
2-methyl-1-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 119159981
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine
CID 111763127
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine
CID 111766947
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-1-thiophen-3-ylpropan-2-amine
CID 75428140
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methyl-3-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111764766
1-ethyl-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111759904
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine
CID 59822262
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133371002

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine (CID 133372614) is N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine is Cc1nc(CN2CCC(CNc3nc(-c4ccccc4)cs3)CC2)cs1.
What is the InChIKey of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is MDONIWYUIHQOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S2/c1-15-22-18(13-25-15)12-24-9-7-16(8-10-24)11-21-20-23-19(14-26-20)17-5-3-2-4-6-17/h2-6,13-14,16H,7-12H2,1H3,(H,21,23).
What are the key properties of N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine?
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 384.57 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 133372614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).