[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

C15H24N4O3S — CID 156603607

IUPAC[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CC(CO)C(CN3CCOCC3)C2)cs1
InChIInChI=1S/C15H24N4O3S/c1-16-15-17-13(10-23-15)14(21)19-7-11(12(8-19)9-20)6-18-2-4-22-5-3-18/h10-12,20H,2-9H2,1H3,(H,16,17)
InChIKeyWIAYVZGPIFYXTP-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.20
Rot. Bonds5

About [3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 156603607) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is [3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
PubChem CID156603607
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)N2CC(CO)C(CN3CCOCC3)C2)cs1
InChIInChI=1S/C15H24N4O3S/c1-16-15-17-13(10-23-15)14(21)19-7-11(12(8-19)9-20)6-18-2-4-22-5-3-18/h10-12,20H,2-9H2,1H3,(H,16,17)
InChIKeyWIAYVZGPIFYXTP-UHFFFAOYSA-N
XLogP0.20
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone
CID 133127339
[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 70717193
[2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82509879
(4-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 133134656
1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42876721
1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 156605318
[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 70715221
[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 155502101
(3-chloro-5-fluorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 133113901
[2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 56878046
3-(furan-2-yl)-1-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 133131291
(3-chloro-2-fluorophenyl)-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 70713744

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone (CID 156603607) is [3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is CNc1nc(C(=O)N2CC(CO)C(CN3CCOCC3)C2)cs1.
What is the InChIKey of [3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is WIAYVZGPIFYXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-16-15-17-13(10-23-15)14(21)19-7-11(12(8-19)9-20)6-18-2-4-22-5-3-18/h10-12,20H,2-9H2,1H3,(H,16,17).
What are the key properties of [3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 340.45 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 156603607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).