(3S,4R)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride

C19H23ClN4S — CID 120770398

IUPAC(3S,4R)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CN(Cc2c(C3CC3)nc3sccn23)C[C@H]1c1ccccc1
InChIInChI=1S/C19H22N4S.ClH/c20-16-11-22(10-15(16)13-4-2-1-3-5-13)12-17-18(14-6-7-14)21-19-23(17)8-9-24-19;/h1-5,8-9,14-16H,6-7,10-12,20H2;1H/t15-,16+;/m0./s1
InChIKeyYPPATFWFHIIVHQ-IDVLALEDSA-N
MW374.94 g/mol
LogP3.62
Rot. Bonds4

About (3S,4R)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride

(3S,4R)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride (PubChem CID 120770398) has the molecular formula C19H23ClN4S and a molecular weight of 374.94 g/mol. Its IUPAC name is (3S,4R)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
PubChem CID120770398
Molecular FormulaC19H23ClN4S
Molecular Weight374.94 g/mol
Exact Mass374.13
IUPAC Name(3S,4R)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@@H]1CN(Cc2c(C3CC3)nc3sccn23)C[C@H]1c1ccccc1
InChIInChI=1S/C19H22N4S.ClH/c20-16-11-22(10-15(16)13-4-2-1-3-5-13)12-17-18(14-6-7-14)21-19-23(17)8-9-24-19;/h1-5,8-9,14-16H,6-7,10-12,20H2;1H/t15-,16+;/m0./s1
InChIKeyYPPATFWFHIIVHQ-IDVLALEDSA-N
XLogP3.62
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.94
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120846852
6-cyclopropyl-5-ethylimidazo[2,1-b][1,3]thiazole
CID 130512598
(3S,4R)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769889
(3S,4R)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770225
methyl 2-[1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 75497441
(3S,4R)-4-phenyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770297
(3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769839
(3S,4R)-4-phenyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 120761556
(3S,4R)-4-phenyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
CID 120769866
(3S,4R)-1-[(5-bromothiophen-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120760875
(3S,4R)-1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120846799
(3S,4R)-4-phenyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770213

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S,4R)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride (CID 120770398) is (3S,4R)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S,4R)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S,4R)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride is Cl.N[C@@H]1CN(Cc2c(C3CC3)nc3sccn23)C[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride?
The InChIKey is YPPATFWFHIIVHQ-IDVLALEDSA-N. The full InChI is InChI=1S/C19H22N4S.ClH/c20-16-11-22(10-15(16)13-4-2-1-3-5-13)12-17-18(14-6-7-14)21-19-23(17)8-9-24-19;/h1-5,8-9,14-16H,6-7,10-12,20H2;1H/t15-,16+;/m0./s1.
What are the key properties of (3S,4R)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride?
(3S,4R)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride has a molecular weight of 374.94 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(6-cyclopropylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120770398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).