N-methyl-4-(4-piperidin-1-ylsulfanylphenyl)-1,3-thiazol-2-amine

C15H19N3S2 — CID 144915973

IUPACN-methyl-4-(4-piperidin-1-ylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(SN3CCCCC3)cc2)cs1
InChIInChI=1S/C15H19N3S2/c1-16-15-17-14(11-19-15)12-5-7-13(8-6-12)20-18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyDOWNOQFCALBOLK-UHFFFAOYSA-N
MW305.47 g/mol
LogP4.34
Rot. Bonds4

About N-methyl-4-(4-piperidin-1-ylsulfanylphenyl)-1,3-thiazol-2-amine

N-methyl-4-(4-piperidin-1-ylsulfanylphenyl)-1,3-thiazol-2-amine (PubChem CID 144915973) has the molecular formula C15H19N3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is N-methyl-4-(4-piperidin-1-ylsulfanylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-(4-piperidin-1-ylsulfanylphenyl)-1,3-thiazol-2-amine
PubChem CID144915973
Molecular FormulaC15H19N3S2
Molecular Weight305.47 g/mol
Exact Mass305.10
IUPAC NameN-methyl-4-(4-piperidin-1-ylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(SN3CCCCC3)cc2)cs1
InChIInChI=1S/C15H19N3S2/c1-16-15-17-14(11-19-15)12-5-7-13(8-6-12)20-18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3,(H,16,17)
InChIKeyDOWNOQFCALBOLK-UHFFFAOYSA-N
XLogP4.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088623
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
2-methyl-6-(4-piperidin-1-ylsulfanylphenyl)pyridine
CID 89470125
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine
CID 62351380
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-1,3-thiazol-2-amine
CID 9441746
N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719450
N-(2-methylsulfanylphenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59429751
N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 9343639
N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine
CID 9011754
4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine
CID 82500092
N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine
CID 7436682

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-piperidin-1-ylsulfanylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-(4-piperidin-1-ylsulfanylphenyl)-1,3-thiazol-2-amine (CID 144915973) is N-methyl-4-(4-piperidin-1-ylsulfanylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-(4-piperidin-1-ylsulfanylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-(4-piperidin-1-ylsulfanylphenyl)-1,3-thiazol-2-amine is CNc1nc(-c2ccc(SN3CCCCC3)cc2)cs1.
What is the InChIKey of N-methyl-4-(4-piperidin-1-ylsulfanylphenyl)-1,3-thiazol-2-amine?
The InChIKey is DOWNOQFCALBOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S2/c1-16-15-17-14(11-19-15)12-5-7-13(8-6-12)20-18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3,(H,16,17).
What are the key properties of N-methyl-4-(4-piperidin-1-ylsulfanylphenyl)-1,3-thiazol-2-amine?
N-methyl-4-(4-piperidin-1-ylsulfanylphenyl)-1,3-thiazol-2-amine has a molecular weight of 305.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-piperidin-1-ylsulfanylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 144915973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).