N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine

C9H17N3S — CID 43373638

IUPACN-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN1CCC(NC2=NCCS2)CC1
InChIInChI=1S/C9H17N3S/c1-12-5-2-8(3-6-12)11-9-10-4-7-13-9/h8H,2-7H2,1H3,(H,10,11)
InChIKeyQWOHQXFCPFCAQN-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.77
Rot. Bonds1

About N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine

N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43373638) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43373638
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCN1CCC(NC2=NCCS2)CC1
InChIInChI=1S/C9H17N3S/c1-12-5-2-8(3-6-12)11-9-10-4-7-13-9/h8H,2-7H2,1H3,(H,10,11)
InChIKeyQWOHQXFCPFCAQN-UHFFFAOYSA-N
XLogP0.77
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4,5-dihydro-1,3-thiazol-2-amine
CID 568661
N-Cyclohexyl-4,5-dihydro-5-methyl-2-thiazolamine
CID 2802274
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine
CID 13018882
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride
CID 13018883
N-(4-piperidin-1-ylundecyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 70567964
ethane;ethenyl 4-(2-aminoethylamino)-N-methylpiperidine-1-carboximidothioate
CID 141933297
N-ethyl-3-piperidin-4-yl-1,3-thiazol-2-imine
CID 166707308
2-(4-Piperidin-1-ylbutylsulfanyl)-1,4,5,6-tetrahydropyrimidine
CID 169004886
2-(3-piperidin-1-ylpropylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 169004908
1-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butyl]piperidine
CID 169004921
1-[3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl]piperidine
CID 169004930
2-(2-Piperidin-1-ylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine
CID 169004943

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43373638) is N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is CN1CCC(NC2=NCCS2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QWOHQXFCPFCAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-12-5-2-8(3-6-12)11-9-10-4-7-13-9/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 199.32 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43373638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).