N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine

C16H19N3S2 — CID 134052869

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine
SMILESCCCc1nc(CN(C)Cc2nc3ccccc3s2)cs1
InChIInChI=1S/C16H19N3S2/c1-3-6-15-17-12(11-20-15)9-19(2)10-16-18-13-7-4-5-8-14(13)21-16/h4-5,7-8,11H,3,6,9-10H2,1-2H3
InChIKeyKDNRDZNDJPQGQB-UHFFFAOYSA-N
MW317.48 g/mol
LogP4.34
Rot. Bonds6

About N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine (PubChem CID 134052869) has the molecular formula C16H19N3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine
PubChem CID134052869
Molecular FormulaC16H19N3S2
Molecular Weight317.48 g/mol
Exact Mass317.10
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine
SMILESCCCc1nc(CN(C)Cc2nc3ccccc3s2)cs1
InChIInChI=1S/C16H19N3S2/c1-3-6-15-17-12(11-20-15)9-19(2)10-16-18-13-7-4-5-8-14(13)21-16/h4-5,7-8,11H,3,6,9-10H2,1-2H3
InChIKeyKDNRDZNDJPQGQB-UHFFFAOYSA-N
XLogP4.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 17411684
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine
CID 8803958
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62687569
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine
CID 8803017
perchloric acid;2-propyl-1,3-benzothiazole
CID 158890819
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoic acid
CID 13285746
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 81492934
N-(1,3-benzothiazol-2-ylmethyl)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine
CID 34760718
N,N-dimethyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 51076387
4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]butan-2-ol
CID 113246457
3-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]-3-phenylpropan-1-ol
CID 111489135
N-(1,3-benzothiazol-2-ylmethyl)-N-(2-bromoethyl)propan-2-amine
CID 104632043

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine (CID 134052869) is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine is CCCc1nc(CN(C)Cc2nc3ccccc3s2)cs1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is KDNRDZNDJPQGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S2/c1-3-6-15-17-12(11-20-15)9-19(2)10-16-18-13-7-4-5-8-14(13)21-16/h4-5,7-8,11H,3,6,9-10H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine?
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 317.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-propyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 134052869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).