N-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine

C16H21N3S — CID 120842423

IUPACN-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine
SMILESCc1nc2ccc(CN(C3CC3)C3CCNC3)cc2s1
InChIInChI=1S/C16H21N3S/c1-11-18-15-5-2-12(8-16(15)20-11)10-19(13-3-4-13)14-6-7-17-9-14/h2,5,8,13-14,17H,3-4,6-7,9-10H2,1H3
InChIKeyWIFNXZORJFCTAL-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.93
Rot. Bonds4

About N-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine

N-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine (PubChem CID 120842423) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine
PubChem CID120842423
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine
SMILESCc1nc2ccc(CN(C3CC3)C3CCNC3)cc2s1
InChIInChI=1S/C16H21N3S/c1-11-18-15-5-2-12(8-16(15)20-11)10-19(13-3-4-13)14-6-7-17-9-14/h2,5,8,13-14,17H,3-4,6-7,9-10H2,1H3
InChIKeyWIFNXZORJFCTAL-UHFFFAOYSA-N
XLogP2.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84795648
6-[[cyclopropyl(pyrrolidin-3-yl)amino]methyl]-3-methyl-1,3-benzothiazol-2-one
CID 120842413
N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 120836574
(3S)-N-cyclohexyl-N-[(3-methylphenyl)methyl]pyrrolidin-3-amine
CID 11380271
N-[(4-bromo-3-chlorophenyl)methyl]-N-cyclopropylpyrrolidin-3-amine
CID 120842429
3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine
CID 45097023
2-methyl-6-(pyrazolidin-1-ylmethyl)-1,3-benzothiazole
CID 170326044
2-methyl-6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-benzothiazole
CID 120845855
(3S)-N-cyclopentyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69062108
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-methylphenyl)cyclobutyl]pyrrolidin-3-amine
CID 166632976
6-[(2,3-dimethylpiperazin-1-yl)methyl]-2-methyl-1,3-benzothiazole;hydrochloride
CID 120843286
N-[(1-ethylimidazol-2-yl)methyl]-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-6-azaspiro[2.5]octan-2-amine
CID 120845310

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine (CID 120842423) is N-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine is Cc1nc2ccc(CN(C3CC3)C3CCNC3)cc2s1.
What is the InChIKey of N-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine?
The InChIKey is WIFNXZORJFCTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-11-18-15-5-2-12(8-16(15)20-11)10-19(13-3-4-13)14-6-7-17-9-14/h2,5,8,13-14,17H,3-4,6-7,9-10H2,1H3.
What are the key properties of N-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine?
N-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine has a molecular weight of 287.43 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 120842423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).