4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine

C10H15N3S — CID 2317865

IUPAC4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine
SMILESCc1csc(NC2=NCCCCC2)n1
InChIInChI=1S/C10H15N3S/c1-8-7-14-10(12-8)13-9-5-3-2-4-6-11-9/h7H,2-6H2,1H3,(H,11,12,13)
InChIKeyPWIKOKOEQZGPGP-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.84
Rot. Bonds1

About 4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine

4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine (PubChem CID 2317865) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine
PubChem CID2317865
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine
SMILESCc1csc(NC2=NCCCCC2)n1
InChIInChI=1S/C10H15N3S/c1-8-7-14-10(12-8)13-9-5-3-2-4-6-11-9/h7H,2-6H2,1H3,(H,11,12,13)
InChIKeyPWIKOKOEQZGPGP-UHFFFAOYSA-N
XLogP2.84
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine (CID 2317865) is 4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine is Cc1csc(NC2=NCCCCC2)n1.
What is the InChIKey of 4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine?
The InChIKey is PWIKOKOEQZGPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-8-7-14-10(12-8)13-9-5-3-2-4-6-11-9/h7H,2-6H2,1H3,(H,11,12,13).
What are the key properties of 4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine?
4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine has a molecular weight of 209.32 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2317865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).