N-(1,3-benzothiazol-2-yl)-N-(methylamino)formamide

C9H9N3OS — CID 54033905

IUPACN-(1,3-benzothiazol-2-yl)-N-(methylamino)formamide
SMILESCNN(C=O)c1nc2ccccc2s1
InChIInChI=1S/C9H9N3OS/c1-10-12(6-13)9-11-7-4-2-3-5-8(7)14-9/h2-6,10H,1H3
InChIKeyLHOMSNDSPKJBOQ-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.39
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-N-(methylamino)formamide

N-(1,3-benzothiazol-2-yl)-N-(methylamino)formamide (PubChem CID 54033905) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(methylamino)formamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(methylamino)formamide
PubChem CID54033905
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(methylamino)formamide
SMILESCNN(C=O)c1nc2ccccc2s1
InChIInChI=1S/C9H9N3OS/c1-10-12(6-13)9-11-7-4-2-3-5-8(7)14-9/h2-6,10H,1H3
InChIKeyLHOMSNDSPKJBOQ-UHFFFAOYSA-N
XLogP1.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine
CID 168757730
methyl N-amino-N-(1,3-benzothiazol-2-yl)carbamate
CID 77174878
4-[2-[1,3-benzothiazol-2-yl(methyl)amino]acetyl]piperazine-1-carbaldehyde
CID 90605476
N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 63392267
3-(1,3-benzothiazol-2-yl)propanenitrile;N,N-dimethylformamide
CID 174781369
N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine
CID 143176372
3-[1,3-benzothiazol-2-yl(propan-2-yl)amino]propanoic acid
CID 60829716
methyl 2-[1,3-benzothiazol-2-yl(ethyl)amino]acetate
CID 62006139
N-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 145410692
N-(1,3-benzothiazol-2-yl)-N-(benzylideneamino)acetamide
CID 7543215
N-(2-aminoethyl)-N-(1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 44622187
trans-(1S,2S)-N-(1,3-benzothiazol-2-yl)-N,2-dimethylcyclopropane-1-carboxamide
CID 34248200

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(methylamino)formamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(methylamino)formamide (CID 54033905) is N-(1,3-benzothiazol-2-yl)-N-(methylamino)formamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(methylamino)formamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(methylamino)formamide is CNN(C=O)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(methylamino)formamide?
The InChIKey is LHOMSNDSPKJBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-10-12(6-13)9-11-7-4-2-3-5-8(7)14-9/h2-6,10H,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(methylamino)formamide?
N-(1,3-benzothiazol-2-yl)-N-(methylamino)formamide has a molecular weight of 207.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(methylamino)formamide is sourced from PubChem (CID 54033905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).