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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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).