N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide

C16H14FN5OS — CID 143117498

IUPACN-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide
SMILESNc1nccc(-c2ccc(C(=O)NCc3c(N)cccc3F)s2)n1
InChIInChI=1S/C16H14FN5OS/c17-10-2-1-3-11(18)9(10)8-21-15(23)14-5-4-13(24-14)12-6-7-20-16(19)22-12/h1-7H,8,18H2,(H,21,23)(H2,19,20,22)
InChIKeyKZQWWSVKNNSPCG-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.44
Rot. Bonds4

About N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide

N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide (PubChem CID 143117498) has the molecular formula C16H14FN5OS and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide
PubChem CID143117498
Molecular FormulaC16H14FN5OS
Molecular Weight343.39 g/mol
Exact Mass343.09
IUPAC NameN-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide
SMILESNc1nccc(-c2ccc(C(=O)NCc3c(N)cccc3F)s2)n1
InChIInChI=1S/C16H14FN5OS/c17-10-2-1-3-11(18)9(10)8-21-15(23)14-5-4-13(24-14)12-6-7-20-16(19)22-12/h1-7H,8,18H2,(H,21,23)(H2,19,20,22)
InChIKeyKZQWWSVKNNSPCG-UHFFFAOYSA-N
XLogP2.44
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(2-aminopyrimidin-4-yl)-N-[2-(4-chlorophenyl)-4-hydroxybutyl]thiophene-2-carboxamide
CID 59856946
5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 11660359
5-(2-aminopyrimidin-4-yl)-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 11538301
N-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide
CID 59849628
5-(2-aminopyrimidin-4-yl)-N-(5-chloro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 59857142
[3-[1-[[5-(2-aminopyrimidin-4-yl)thiophene-2-carbonyl]amino]ethyl]phenyl]carbamic acid
CID 69244644
N-[2-(methylamino)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 143117582
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 32977659
5-(2-aminopyrimidin-4-yl)-N-[4-chloro-6-(hydroxymethyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 59857140
5-(2-aminopyrimidin-4-yl)-N-[4-chloro-6-(methylaminomethyl)-1,3-benzothiazol-2-yl]thiophene-2-carboxamide
CID 59856978
N-[(2S)-2-amino-2-phenylethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 11501248
N-[6-[[(2R)-6-amino-1-[[6-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2R)-5-(diaminomethylideneamino)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-1-oxohexan-2-yl]amino]-6-oxohexyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide
CID 46882138

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide (CID 143117498) is N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide is Nc1nccc(-c2ccc(C(=O)NCc3c(N)cccc3F)s2)n1.
What is the InChIKey of N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide?
The InChIKey is KZQWWSVKNNSPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5OS/c17-10-2-1-3-11(18)9(10)8-21-15(23)14-5-4-13(24-14)12-6-7-20-16(19)22-12/h1-7H,8,18H2,(H,21,23)(H2,19,20,22).
What are the key properties of N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide?
N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-6-fluorophenyl)methyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 143117498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).