5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

C12H22N4OS — CID 103359426

IUPAC5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NC1CCCN(C)C1
InChIInChI=1S/C12H22N4OS/c1-8(2)17-10-11(13)15-18-12(10)14-9-5-4-6-16(3)7-9/h8-9,14H,4-7H2,1-3H3,(H2,13,15)
InChIKeySRRLRMVZMYJPMM-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.02
Rot. Bonds4

About 5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103359426) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103359426
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NC1CCCN(C)C1
InChIInChI=1S/C12H22N4OS/c1-8(2)17-10-11(13)15-18-12(10)14-9-5-4-6-16(3)7-9/h8-9,14H,4-7H2,1-3H3,(H2,13,15)
InChIKeySRRLRMVZMYJPMM-UHFFFAOYSA-N
XLogP2.02
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 103359426) is 5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is CC(C)Oc1c(N)nsc1NC1CCCN(C)C1.
What is the InChIKey of 5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is SRRLRMVZMYJPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-8(2)17-10-11(13)15-18-12(10)14-9-5-4-6-16(3)7-9/h8-9,14H,4-7H2,1-3H3,(H2,13,15).
What are the key properties of 5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 270.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).