N-[[4-methyl-5-[methyl-[1-(1-phenylethyl)piperidin-4-yl]amino]-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine

C23H29N5S2 — CID 146439293

IUPACN-[[4-methyl-5-[methyl-[1-(1-phenylethyl)piperidin-4-yl]amino]-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine
SMILESCc1cc(SNc2cscn2)ncc1N(C)C1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C23H29N5S2/c1-17-13-23(30-26-22-15-29-16-25-22)24-14-21(17)27(3)20-9-11-28(12-10-20)18(2)19-7-5-4-6-8-19/h4-8,13-16,18,20,26H,9-12H2,1-3H3
InChIKeyUKESFVASEIOEFC-UHFFFAOYSA-N
MW439.65 g/mol
LogP5.63
Rot. Bonds7

About N-[[4-methyl-5-[methyl-[1-(1-phenylethyl)piperidin-4-yl]amino]-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine

N-[[4-methyl-5-[methyl-[1-(1-phenylethyl)piperidin-4-yl]amino]-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine (PubChem CID 146439293) has the molecular formula C23H29N5S2 and a molecular weight of 439.65 g/mol. Its IUPAC name is N-[[4-methyl-5-[methyl-[1-(1-phenylethyl)piperidin-4-yl]amino]-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-[[4-methyl-5-[methyl-[1-(1-phenylethyl)piperidin-4-yl]amino]-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine
PubChem CID146439293
Molecular FormulaC23H29N5S2
Molecular Weight439.65 g/mol
Exact Mass439.19
IUPAC NameN-[[4-methyl-5-[methyl-[1-(1-phenylethyl)piperidin-4-yl]amino]-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine
SMILESCc1cc(SNc2cscn2)ncc1N(C)C1CCN(C(C)c2ccccc2)CC1
InChIInChI=1S/C23H29N5S2/c1-17-13-23(30-26-22-15-29-16-25-22)24-14-21(17)27(3)20-9-11-28(12-10-20)18(2)19-7-5-4-6-8-19/h4-8,13-16,18,20,26H,9-12H2,1-3H3
InChIKeyUKESFVASEIOEFC-UHFFFAOYSA-N
XLogP5.63
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.65
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-5-[methyl-[1-(1-phenylethyl)piperidin-4-yl]amino]-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine?
The IUPAC name of N-[[4-methyl-5-[methyl-[1-(1-phenylethyl)piperidin-4-yl]amino]-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine (CID 146439293) is N-[[4-methyl-5-[methyl-[1-(1-phenylethyl)piperidin-4-yl]amino]-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine.
What is the SMILES notation for N-[[4-methyl-5-[methyl-[1-(1-phenylethyl)piperidin-4-yl]amino]-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine?
The canonical SMILES for N-[[4-methyl-5-[methyl-[1-(1-phenylethyl)piperidin-4-yl]amino]-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine is Cc1cc(SNc2cscn2)ncc1N(C)C1CCN(C(C)c2ccccc2)CC1.
What is the InChIKey of N-[[4-methyl-5-[methyl-[1-(1-phenylethyl)piperidin-4-yl]amino]-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine?
The InChIKey is UKESFVASEIOEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5S2/c1-17-13-23(30-26-22-15-29-16-25-22)24-14-21(17)27(3)20-9-11-28(12-10-20)18(2)19-7-5-4-6-8-19/h4-8,13-16,18,20,26H,9-12H2,1-3H3.
What are the key properties of N-[[4-methyl-5-[methyl-[1-(1-phenylethyl)piperidin-4-yl]amino]-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine?
N-[[4-methyl-5-[methyl-[1-(1-phenylethyl)piperidin-4-yl]amino]-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine has a molecular weight of 439.65 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-5-[methyl-[1-(1-phenylethyl)piperidin-4-yl]amino]-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 146439293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).