N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C17H25N3S — CID 62993062

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(CNC1=NCC(c2ccccc2)S1)CN1CCCC1
InChIInChI=1S/C17H25N3S/c1-14(13-20-9-5-6-10-20)11-18-17-19-12-16(21-17)15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H,18,19)
InChIKeyKZSSSGNVBKPNSS-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.15
Rot. Bonds5

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 62993062) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID62993062
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(CNC1=NCC(c2ccccc2)S1)CN1CCCC1
InChIInChI=1S/C17H25N3S/c1-14(13-20-9-5-6-10-20)11-18-17-19-12-16(21-17)15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H,18,19)
InChIKeyKZSSSGNVBKPNSS-UHFFFAOYSA-N
XLogP3.15
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 55171605
5-phenyl-N-(1-phenylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 62304214
6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,6-diamine
CID 80647967
N-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113467323
3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)quinoxalin-2-amine
CID 62993510
N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine
CID 47283339
2-methyl-N-[(2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893415
2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 55025768
N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-benzotriazin-3-amine
CID 103204138
N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide
CID 62994735
N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
CID 60966697
4-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)phthalazin-1-amine
CID 62994226

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 62993062) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is CC(CNC1=NCC(c2ccccc2)S1)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KZSSSGNVBKPNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-14(13-20-9-5-6-10-20)11-18-17-19-12-16(21-17)15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H,18,19).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 303.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 62993062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).