N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine

C13H23N3S — CID 62543027

IUPACN-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine
SMILESCCCNCc1nc2c(s1)CN(C(C)C)CC2
InChIInChI=1S/C13H23N3S/c1-4-6-14-8-13-15-11-5-7-16(10(2)3)9-12(11)17-13/h10,14H,4-9H2,1-3H3
InChIKeyKMIMLFUTUPTZGY-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.41
Rot. Bonds5

About N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine

N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine (PubChem CID 62543027) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine
PubChem CID62543027
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine
SMILESCCCNCc1nc2c(s1)CN(C(C)C)CC2
InChIInChI=1S/C13H23N3S/c1-4-6-14-8-13-15-11-5-7-16(10(2)3)9-12(11)17-13/h10,14H,4-9H2,1-3H3
InChIKeyKMIMLFUTUPTZGY-UHFFFAOYSA-N
XLogP2.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine
CID 55156826
5-propan-2-yl-N-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 62943100
N-methyl-1-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanamine
CID 62545145
N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]cyclopropanamine
CID 62544662
N-[(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]-2-methylpropan-1-amine
CID 62923045
N-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-1-amine
CID 62544347
5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 16795413
ethyl 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 61385458
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)hexan-1-amine
CID 115887221
(3S,4R)-4-phenyl-1-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770039
2-(2-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid
CID 82098360
N-[[5-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]methyl]ethanamine
CID 62545152

Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine (CID 62543027) is N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine is CCCNCc1nc2c(s1)CN(C(C)C)CC2.
What is the InChIKey of N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine?
The InChIKey is KMIMLFUTUPTZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-6-14-8-13-15-11-5-7-16(10(2)3)9-12(11)17-13/h10,14H,4-9H2,1-3H3.
What are the key properties of N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine?
N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 62543027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).