propan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C10H19N3S — CID 143174269

IUPACpropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCCCN.Nc1nc2c(s1)CCCC2
InChIInChI=1S/C7H10N2S.C3H9N/c8-7-9-5-3-1-2-4-6(5)10-7;1-2-3-4/h1-4H2,(H2,8,9);2-4H2,1H3
InChIKeyWCQASMBIGYBYSZ-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.96
Rot. Bonds1

About propan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

propan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 143174269) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is propan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Namepropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID143174269
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Namepropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCCCN.Nc1nc2c(s1)CCCC2
InChIInChI=1S/C7H10N2S.C3H9N/c8-7-9-5-3-1-2-4-6(5)10-7;1-2-3-4/h1-4H2,(H2,8,9);2-4H2,1H3
InChIKeyWCQASMBIGYBYSZ-UHFFFAOYSA-N
XLogP1.96
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethylpropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 142124602
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide
CID 11659373
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine
CID 3469612
2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine;dihydrochloride
CID 47000761
2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 130511936
2-ethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58541380
2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)butan-2-amine
CID 63526067
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-1-amine
CID 61332281
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-2-amine
CID 62646241
2-bromo-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazole
CID 112623621
2-bromo-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazole
CID 112623648
(1S)-2-amino-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanol
CID 82670663

Frequently Asked Questions

What is the IUPAC name of propan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of propan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 143174269) is propan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for propan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for propan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is CCCN.Nc1nc2c(s1)CCCC2.
What is the InChIKey of propan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is WCQASMBIGYBYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S.C3H9N/c8-7-9-5-3-1-2-4-6(5)10-7;1-2-3-4/h1-4H2,(H2,8,9);2-4H2,1H3.
What are the key properties of propan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
propan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 143174269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).