5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide

C17H18N6O2S2 — CID 50943692

IUPAC5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide
SMILESC/C=C\c1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H18N6O2S2/c1-2-3-11-9-19-17(13-6-7-15(26-13)27(18,24)25)21-16(11)20-14-8-12(22-23-14)10-4-5-10/h2-3,6-10H,4-5H2,1H3,(H2,18,24,25)(H2,19,20,21,22,23)/b3-2-
InChIKeyJWMBLBYZEHPJIW-IHWYPQMZSA-N
MW402.51 g/mol
LogP3.23
Rot. Bonds6

About 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide

5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide (PubChem CID 50943692) has the molecular formula C17H18N6O2S2 and a molecular weight of 402.51 g/mol. Its IUPAC name is 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide
PubChem CID50943692
Molecular FormulaC17H18N6O2S2
Molecular Weight402.51 g/mol
Exact Mass402.09
IUPAC Name5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide
SMILESC/C=C\c1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H18N6O2S2/c1-2-3-11-9-19-17(13-6-7-15(26-13)27(18,24)25)21-16(11)20-14-8-12(22-23-14)10-4-5-10/h2-3,6-10H,4-5H2,1H3,(H2,18,24,25)(H2,19,20,21,22,23)/b3-2-
InChIKeyJWMBLBYZEHPJIW-IHWYPQMZSA-N
XLogP3.23
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide (CID 50943692) is 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide is C/C=C\c1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide?
The InChIKey is JWMBLBYZEHPJIW-IHWYPQMZSA-N. The full InChI is InChI=1S/C17H18N6O2S2/c1-2-3-11-9-19-17(13-6-7-15(26-13)27(18,24)25)21-16(11)20-14-8-12(22-23-14)10-4-5-10/h2-3,6-10H,4-5H2,1H3,(H2,18,24,25)(H2,19,20,21,22,23)/b3-2-.
What are the key properties of 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide?
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide has a molecular weight of 402.51 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 50943692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).