[3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone

C15H18N4OS — CID 69132107

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccncc2)sc1C(=O)N1CCC(CN)C1
InChIInChI=1S/C15H18N4OS/c1-10-13(15(20)19-7-4-11(8-16)9-19)21-14(18-10)12-2-5-17-6-3-12/h2-3,5-6,11H,4,7-9,16H2,1H3
InChIKeyIJWDMKNIHAYBDZ-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.93
Rot. Bonds3

About [3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone

[3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone (PubChem CID 69132107) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
PubChem CID69132107
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccncc2)sc1C(=O)N1CCC(CN)C1
InChIInChI=1S/C15H18N4OS/c1-10-13(15(20)19-7-4-11(8-16)9-19)21-14(18-10)12-2-5-17-6-3-12/h2-3,5-6,11H,4,7-9,16H2,1H3
InChIKeyIJWDMKNIHAYBDZ-UHFFFAOYSA-N
XLogP1.93
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080812
ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
CID 39080805
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119539054
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541192
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177854
[3-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119486828
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
CID 124611791
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62067468
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 53031115
[3-(ethoxymethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110416469
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080857
N-butyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53035385

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone (CID 69132107) is [3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ccncc2)sc1C(=O)N1CCC(CN)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is IJWDMKNIHAYBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-13(15(20)19-7-4-11(8-16)9-19)21-14(18-10)12-2-5-17-6-3-12/h2-3,5-6,11H,4,7-9,16H2,1H3.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 69132107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).