N-cyclopropyl-1-(7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide

C15H17N5O3S — CID 56888465

IUPACN-cyclopropyl-1-(7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide
SMILESO=C(NC1CC1)C1CNCCN1C(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C15H17N5O3S/c21-12-7-10(20-5-6-24-15(20)18-12)14(23)19-4-3-16-8-11(19)13(22)17-9-1-2-9/h5-7,9,11,16H,1-4,8H2,(H,17,22)
InChIKeyNZBSSIMUSBKNTB-UHFFFAOYSA-N
MW347.40 g/mol
LogP-0.55
Rot. Bonds3

About N-cyclopropyl-1-(7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide

N-cyclopropyl-1-(7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide (PubChem CID 56888465) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-cyclopropyl-1-(7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide
PubChem CID56888465
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC NameN-cyclopropyl-1-(7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide
SMILESO=C(NC1CC1)C1CNCCN1C(=O)c1cc(=O)nc2sccn12
InChIInChI=1S/C15H17N5O3S/c21-12-7-10(20-5-6-24-15(20)18-12)14(23)19-4-3-16-8-11(19)13(22)17-9-1-2-9/h5-7,9,11,16H,1-4,8H2,(H,17,22)
InChIKeyNZBSSIMUSBKNTB-UHFFFAOYSA-N
XLogP-0.55
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-1-[(2,3-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)carbonyl]-2-piperazinecarboxamide
CID 56918093
7-[(3-Oxopiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2657086
Ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 8906529
2-[ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide
CID 8906530
Methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 9049543
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propan-2-ylacetamide
CID 9049544
Methyl-[2-oxo-2-(propylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
CID 9289333
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-propylacetamide
CID 9289334
N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9465876
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
N-cyclopropyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide
CID 43037852
2,2-dimethyl-N-[1-oxo-1-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propan-2-yl]propanamide
CID 43047984

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-(7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide (CID 56888465) is N-cyclopropyl-1-(7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide is O=C(NC1CC1)C1CNCCN1C(=O)c1cc(=O)nc2sccn12.
What is the InChIKey of N-cyclopropyl-1-(7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide?
The InChIKey is NZBSSIMUSBKNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c21-12-7-10(20-5-6-24-15(20)18-12)14(23)19-4-3-16-8-11(19)13(22)17-9-1-2-9/h5-7,9,11,16H,1-4,8H2,(H,17,22).
What are the key properties of N-cyclopropyl-1-(7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide?
N-cyclopropyl-1-(7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide has a molecular weight of 347.40 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 56888465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).