N-butan-2-yl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide

C18H27N5O2S — CID 42949651

IUPACN-butan-2-yl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1
InChIInChI=1S/C18H27N5O2S/c1-4-13(2)19-16(24)11-22-7-5-21(6-8-22)10-15-9-17(25)23-14(3)12-26-18(23)20-15/h9,12-13H,4-8,10-11H2,1-3H3,(H,19,24)
InChIKeyBXUXBEDRCMQHCD-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.10
Rot. Bonds6

About N-butan-2-yl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 42949651) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
PubChem CID42949651
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC NameN-butan-2-yl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1
InChIInChI=1S/C18H27N5O2S/c1-4-13(2)19-16(24)11-22-7-5-21(6-8-22)10-15-9-17(25)23-14(3)12-26-18(23)20-15/h9,12-13H,4-8,10-11H2,1-3H3,(H,19,24)
InChIKeyBXUXBEDRCMQHCD-UHFFFAOYSA-N
XLogP1.10
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(Piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 24761831
N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
CID 9465877
7-(piperazin-1-ylmethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7131503
2-[Methyl({7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-2-YL})amino]-N-propylacetamide
CID 18166949
7-Methyl-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 20886260
N-butan-2-yl-2-[methyl-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)amino]acetamide
CID 20893138
7-Methyl-2-(3-oxopiperazin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 42936215
7-(Piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one chloride
CID 53352301
N-cyclopropyl-1-[(7-oxo-7H-[1,3]thiazolo[3,2-a]pyrimidin-5-yl)carbonyl]-2-piperazinecarboxamide
CID 56888465
1-(((2Z)-3-methyl-2-(methylimino)-2,3-dihydro-1,3-thiazol-4-yl)methyl)-2-piperazinone
CID 23131101
7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2655247
7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2655249

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide (CID 42949651) is N-butan-2-yl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(Cc2cc(=O)n3c(C)csc3n2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is BXUXBEDRCMQHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-4-13(2)19-16(24)11-22-7-5-21(6-8-22)10-15-9-17(25)23-14(3)12-26-18(23)20-15/h9,12-13H,4-8,10-11H2,1-3H3,(H,19,24).
What are the key properties of N-butan-2-yl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 377.51 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 42949651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).