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

C12H23N3S — CID 142124602

IUPACN,N-dimethylpropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCCCN(C)C.Nc1nc2c(s1)CCCC2
InChIInChI=1S/C7H10N2S.C5H13N/c8-7-9-5-3-1-2-4-6(5)10-7;1-4-5-6(2)3/h1-4H2,(H2,8,9);4-5H2,1-3H3
InChIKeyRVPPDYGDKRSNCW-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.56
Rot. Bonds2

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

N,N-dimethylpropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 142124602) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N,N-dimethylpropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethylpropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID142124602
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN,N-dimethylpropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCCCN(C)C.Nc1nc2c(s1)CCCC2
InChIInChI=1S/C7H10N2S.C5H13N/c8-7-9-5-3-1-2-4-6(5)10-7;1-4-5-6(2)3/h1-4H2,(H2,8,9);4-5H2,1-3H3
InChIKeyRVPPDYGDKRSNCW-UHFFFAOYSA-N
XLogP2.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-dimethylpropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 143174269
5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine;hydroiodide
CID 11659373
6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 88569221
5-[2-(dimethylamino)ethyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine
CID 82194364
6-N-propan-2-yl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 88585864
5-[3-(dimethylamino)propyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-amine
CID 82194316
2-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 130511936
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine
CID 3469612
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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of N,N-dimethylpropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 142124602) is N,N-dimethylpropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N,N-dimethylpropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N,N-dimethylpropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is CCCN(C)C.Nc1nc2c(s1)CCCC2.
What is the InChIKey of N,N-dimethylpropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is RVPPDYGDKRSNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S.C5H13N/c8-7-9-5-3-1-2-4-6(5)10-7;1-4-5-6(2)3/h1-4H2,(H2,8,9);4-5H2,1-3H3.
What are the key properties of N,N-dimethylpropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
N,N-dimethylpropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylpropan-1-amine;4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 142124602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).