N-methyl-1,3-benzothiazol-2-amine;N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide

C17H18N4O2S2 — CID 156707844

IUPACN-methyl-1,3-benzothiazol-2-amine;N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCNc1nc2ccccc2s1.O=CCc1csc(NC(=O)C2CC2)n1
InChIInChI=1S/C9H10N2O2S.C8H8N2S/c12-4-3-7-5-14-9(10-7)11-8(13)6-1-2-6;1-9-8-10-6-4-2-3-5-7(6)11-8/h4-6H,1-3H2,(H,10,11,13);2-5H,1H3,(H,9,10)
InChIKeyLWJXUJBTZLIPOE-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.57
Rot. Bonds5

About N-methyl-1,3-benzothiazol-2-amine;N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-methyl-1,3-benzothiazol-2-amine;N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 156707844) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-methyl-1,3-benzothiazol-2-amine;N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-1,3-benzothiazol-2-amine;N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID156707844
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC NameN-methyl-1,3-benzothiazol-2-amine;N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCNc1nc2ccccc2s1.O=CCc1csc(NC(=O)C2CC2)n1
InChIInChI=1S/C9H10N2O2S.C8H8N2S/c12-4-3-7-5-14-9(10-7)11-8(13)6-1-2-6;1-9-8-10-6-4-2-3-5-7(6)11-8/h4-6H,1-3H2,(H,10,11,13);2-5H,1H3,(H,9,10)
InChIKeyLWJXUJBTZLIPOE-UHFFFAOYSA-N
XLogP3.57
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 4188758
N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26251597
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440
N,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine
CID 143125786
N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 8882216
N-(1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118820
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-benzothiazol-2-amine;N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-1,3-benzothiazol-2-amine;N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 156707844) is N-methyl-1,3-benzothiazol-2-amine;N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-1,3-benzothiazol-2-amine;N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-1,3-benzothiazol-2-amine;N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is CNc1nc2ccccc2s1.O=CCc1csc(NC(=O)C2CC2)n1.
What is the InChIKey of N-methyl-1,3-benzothiazol-2-amine;N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is LWJXUJBTZLIPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S.C8H8N2S/c12-4-3-7-5-14-9(10-7)11-8(13)6-1-2-6;1-9-8-10-6-4-2-3-5-7(6)11-8/h4-6H,1-3H2,(H,10,11,13);2-5H,1H3,(H,9,10).
What are the key properties of N-methyl-1,3-benzothiazol-2-amine;N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-methyl-1,3-benzothiazol-2-amine;N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-benzothiazol-2-amine;N-[4-(2-oxoethyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 156707844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).