N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide

C12H16N6O2S — CID 137108538

IUPACN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C12H16N6O2S/c1-2-3-7-11(21-18-17-7)12(20)14-5-4-9-15-8(13)6-10(19)16-9/h6H,2-5H2,1H3,(H,14,20)(H3,13,15,16,19)
InChIKeySTAAVOSBVUODFF-UHFFFAOYSA-N
MW308.37 g/mol
LogP0.13
Rot. Bonds6

About N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 137108538) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
PubChem CID137108538
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC NameN-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C12H16N6O2S/c1-2-3-7-11(21-18-17-7)12(20)14-5-4-9-15-8(13)6-10(19)16-9/h6H,2-5H2,1H3,(H,14,20)(H3,13,15,16,19)
InChIKeySTAAVOSBVUODFF-UHFFFAOYSA-N
XLogP0.13
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
CID 137092384
N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
CID 107843629
N-(3-bromobutyl)-4-propylthiadiazole-5-carboxamide
CID 114312667
5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205051
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 136661986
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 137021874
N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
CID 114308874
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide
CID 65205425
N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206399
N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide
CID 65204874
N-[2-(2-chloroethoxy)ethyl]-4-propylthiadiazole-5-carboxamide
CID 114297929
N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide
CID 65210069

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide (CID 137108538) is N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCCc1nc(N)cc(=O)[nH]1.
What is the InChIKey of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is STAAVOSBVUODFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c1-2-3-7-11(21-18-17-7)12(20)14-5-4-9-15-8(13)6-10(19)16-9/h6H,2-5H2,1H3,(H,14,20)(H3,13,15,16,19).
What are the key properties of N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide?
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 308.37 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 137108538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).