N-tert-butyl-1-thieno[2,3-d]pyrimidin-4-ylazetidine-3-carboxamide

C14H18N4OS — CID 166602336

IUPACN-tert-butyl-1-thieno[2,3-d]pyrimidin-4-ylazetidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CN(c2ncnc3sccc23)C1
InChIInChI=1S/C14H18N4OS/c1-14(2,3)17-12(19)9-6-18(7-9)11-10-4-5-20-13(10)16-8-15-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,19)
InChIKeyCMXAQHKLRGXOLT-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.04
Rot. Bonds2

About N-tert-butyl-1-thieno[2,3-d]pyrimidin-4-ylazetidine-3-carboxamide

N-tert-butyl-1-thieno[2,3-d]pyrimidin-4-ylazetidine-3-carboxamide (PubChem CID 166602336) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-tert-butyl-1-thieno[2,3-d]pyrimidin-4-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-thieno[2,3-d]pyrimidin-4-ylazetidine-3-carboxamide
PubChem CID166602336
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-tert-butyl-1-thieno[2,3-d]pyrimidin-4-ylazetidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CN(c2ncnc3sccc23)C1
InChIInChI=1S/C14H18N4OS/c1-14(2,3)17-12(19)9-6-18(7-9)11-10-4-5-20-13(10)16-8-15-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,19)
InChIKeyCMXAQHKLRGXOLT-UHFFFAOYSA-N
XLogP2.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 119575525
1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63030992
(3S,5R)-5-(cyclopropylcarbamoyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxylic acid
CID 56891475
2-(1-thieno[2,3-d]pyrimidin-4-ylazetidin-3-yl)acetic acid
CID 64616447
4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine
CID 171994938
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 2098585
(2R)-3-methyl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carbonyl)amino]butanoic acid
CID 119369272
2-methyl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)methyl]propan-2-amine
CID 62588139
(3S)-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 124882523
N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 119499104
N-(4-aminophenyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 167778225
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-thieno[2,3-d]pyrimidin-4-ylazetidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-thieno[2,3-d]pyrimidin-4-ylazetidine-3-carboxamide (CID 166602336) is N-tert-butyl-1-thieno[2,3-d]pyrimidin-4-ylazetidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-thieno[2,3-d]pyrimidin-4-ylazetidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-thieno[2,3-d]pyrimidin-4-ylazetidine-3-carboxamide is CC(C)(C)NC(=O)C1CN(c2ncnc3sccc23)C1.
What is the InChIKey of N-tert-butyl-1-thieno[2,3-d]pyrimidin-4-ylazetidine-3-carboxamide?
The InChIKey is CMXAQHKLRGXOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-14(2,3)17-12(19)9-6-18(7-9)11-10-4-5-20-13(10)16-8-15-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,19).
What are the key properties of N-tert-butyl-1-thieno[2,3-d]pyrimidin-4-ylazetidine-3-carboxamide?
N-tert-butyl-1-thieno[2,3-d]pyrimidin-4-ylazetidine-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-thieno[2,3-d]pyrimidin-4-ylazetidine-3-carboxamide is sourced from PubChem (CID 166602336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).