N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

C13H21Cl2N3OS — CID 119897347

IUPACN-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NCc1nc(C2CC2)cs1
InChIInChI=1S/C13H19N3OS.2ClH/c17-12(6-10-2-1-5-14-10)15-7-13-16-11(8-18-13)9-3-4-9;;/h8-10,14H,1-7H2,(H,15,17);2*1H
InChIKeySKLTYVHWAFSMKU-UHFFFAOYSA-N
MW338.30 g/mol
LogP2.62
Rot. Bonds5

About N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119897347) has the molecular formula C13H21Cl2N3OS and a molecular weight of 338.30 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119897347
Molecular FormulaC13H21Cl2N3OS
Molecular Weight338.30 g/mol
Exact Mass337.08
IUPAC NameN-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NCc1nc(C2CC2)cs1
InChIInChI=1S/C13H19N3OS.2ClH/c17-12(6-10-2-1-5-14-10)15-7-13-16-11(8-18-13)9-3-4-9;;/h8-10,14H,1-7H2,(H,15,17);2*1H
InChIKeySKLTYVHWAFSMKU-UHFFFAOYSA-N
XLogP2.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119897337
(2S)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081747
2-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63824820
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119896093
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 63239882
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119869571
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119900153
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119820943
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016376
7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide
CID 119897286
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119816657
2-pyrrolidin-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 61365653

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119897347) is N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)NCc1nc(C2CC2)cs1.
What is the InChIKey of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is SKLTYVHWAFSMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS.2ClH/c17-12(6-10-2-1-5-14-10)15-7-13-16-11(8-18-13)9-3-4-9;;/h8-10,14H,1-7H2,(H,15,17);2*1H.
What are the key properties of N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 338.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119897347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).