5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine

C14H15ClN2S — CID 43674852

IUPAC5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine
SMILESClc1ccc2scnc2c1NC(C1CC1)C1CC1
InChIInChI=1S/C14H15ClN2S/c15-10-5-6-11-14(16-7-18-11)13(10)17-12(8-1-2-8)9-3-4-9/h5-9,12,17H,1-4H2
InChIKeyQWFMUBIIEKHULO-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.55
Rot. Bonds4

About 5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine

5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine (PubChem CID 43674852) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine
PubChem CID43674852
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine
SMILESClc1ccc2scnc2c1NC(C1CC1)C1CC1
InChIInChI=1S/C14H15ClN2S/c15-10-5-6-11-14(16-7-18-11)13(10)17-12(8-1-2-8)9-3-4-9/h5-9,12,17H,1-4H2
InChIKeyQWFMUBIIEKHULO-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-1,3-benzothiazol-4-amine
CID 43779328
5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine
CID 79548676
5-chloro-N-(1-methylazepan-4-yl)-1,3-benzothiazol-4-amine
CID 65070161
5-chloro-N-[(1-methylpiperidin-4-yl)methyl]-1,3-benzothiazol-4-amine
CID 62655447
5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-4-amine
CID 82853450
5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine
CID 106633191
5-chloro-N-(5-methylheptan-3-yl)-1,3-benzothiazol-4-amine
CID 43674821
5-chloro-N-(3-methoxycyclohexyl)-1,3-benzothiazol-4-amine
CID 106871633
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-4-amine
CID 43674854
5-chloro-N-[1-(3-methylphenyl)ethyl]-1,3-benzothiazol-4-amine
CID 43779325
5-chloro-N-(3-methylbutyl)-1,3-benzothiazol-4-amine
CID 43674780
5-chloro-N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674738

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine (CID 43674852) is 5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine is Clc1ccc2scnc2c1NC(C1CC1)C1CC1.
What is the InChIKey of 5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine?
The InChIKey is QWFMUBIIEKHULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c15-10-5-6-11-14(16-7-18-11)13(10)17-12(8-1-2-8)9-3-4-9/h5-9,12,17H,1-4H2.
What are the key properties of 5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine?
5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine has a molecular weight of 278.81 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43674852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).