5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

C14H17ClN4S — CID 120903805

IUPAC5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(c3ncccc3Cl)CC2)s1
InChIInChI=1S/C14H17ClN4S/c15-12-2-1-5-17-13(12)10-3-6-19(7-4-10)9-11-8-18-14(16)20-11/h1-2,5,8,10H,3-4,6-7,9H2,(H2,16,18)
InChIKeyRZULQXXRZFXGCM-UHFFFAOYSA-N
MW308.84 g/mol
LogP3.15
Rot. Bonds3

About 5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120903805) has the molecular formula C14H17ClN4S and a molecular weight of 308.84 g/mol. Its IUPAC name is 5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120903805
Molecular FormulaC14H17ClN4S
Molecular Weight308.84 g/mol
Exact Mass308.09
IUPAC Name5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCC(c3ncccc3Cl)CC2)s1
InChIInChI=1S/C14H17ClN4S/c15-12-2-1-5-17-13(12)10-3-6-19(7-4-10)9-11-8-18-14(16)20-11/h1-2,5,8,10H,3-4,6-7,9H2,(H2,16,18)
InChIKeyRZULQXXRZFXGCM-UHFFFAOYSA-N
XLogP3.15
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903108
4-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]phenol;hydrochloride
CID 120898009
5-[(4-thiophen-3-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903986
[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(4-chlorophenyl)methanone
CID 120899134
5-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 25258494
5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898786
5-[[2-(2-chlorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine
CID 120899965
5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902080
5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898110
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902713

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120903805) is 5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCC(c3ncccc3Cl)CC2)s1.
What is the InChIKey of 5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is RZULQXXRZFXGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4S/c15-12-2-1-5-17-13(12)10-3-6-19(7-4-10)9-11-8-18-14(16)20-11/h1-2,5,8,10H,3-4,6-7,9H2,(H2,16,18).
What are the key properties of 5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 308.84 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-chloro-2-pyridinyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120903805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).