N-cyclopropyl-5-[[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-3-methylthiophene-2-sulfinamide

C18H21N7OS2 — CID 143460627

IUPACN-cyclopropyl-5-[[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-3-methylthiophene-2-sulfinamide
SMILES[H]/N=c1\c(Nc2cc(C)c(S(=O)NC3CC3)s2)nccn1C(=C)c1cnn(C)c1
InChIInChI=1S/C18H21N7OS2/c1-11-8-15(27-18(11)28(26)23-14-4-5-14)22-17-16(19)25(7-6-20-17)12(2)13-9-21-24(3)10-13/h6-10,14,19,23H,2,4-5H2,1,3H3,(H,20,22)/b19-16+
InChIKeyUDWGWACPJOKEPB-KNTRCKAVSA-N
MW415.55 g/mol
LogP2.50
Rot. Bonds7

About N-cyclopropyl-5-[[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-3-methylthiophene-2-sulfinamide

N-cyclopropyl-5-[[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-3-methylthiophene-2-sulfinamide (PubChem CID 143460627) has the molecular formula C18H21N7OS2 and a molecular weight of 415.55 g/mol. Its IUPAC name is N-cyclopropyl-5-[[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-3-methylthiophene-2-sulfinamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-3-methylthiophene-2-sulfinamide
PubChem CID143460627
Molecular FormulaC18H21N7OS2
Molecular Weight415.55 g/mol
Exact Mass415.12
IUPAC NameN-cyclopropyl-5-[[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-3-methylthiophene-2-sulfinamide
SMILES[H]/N=c1\c(Nc2cc(C)c(S(=O)NC3CC3)s2)nccn1C(=C)c1cnn(C)c1
InChIInChI=1S/C18H21N7OS2/c1-11-8-15(27-18(11)28(26)23-14-4-5-14)22-17-16(19)25(7-6-20-17)12(2)13-9-21-24(3)10-13/h6-10,14,19,23H,2,4-5H2,1,3H3,(H,20,22)/b19-16+
InChIKeyUDWGWACPJOKEPB-KNTRCKAVSA-N
XLogP2.50
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.55
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-3-methylthiophene-2-sulfinamide?
The IUPAC name of N-cyclopropyl-5-[[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-3-methylthiophene-2-sulfinamide (CID 143460627) is N-cyclopropyl-5-[[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-3-methylthiophene-2-sulfinamide.
What is the SMILES notation for N-cyclopropyl-5-[[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-3-methylthiophene-2-sulfinamide?
The canonical SMILES for N-cyclopropyl-5-[[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-3-methylthiophene-2-sulfinamide is [H]/N=c1\c(Nc2cc(C)c(S(=O)NC3CC3)s2)nccn1C(=C)c1cnn(C)c1.
What is the InChIKey of N-cyclopropyl-5-[[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-3-methylthiophene-2-sulfinamide?
The InChIKey is UDWGWACPJOKEPB-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H21N7OS2/c1-11-8-15(27-18(11)28(26)23-14-4-5-14)22-17-16(19)25(7-6-20-17)12(2)13-9-21-24(3)10-13/h6-10,14,19,23H,2,4-5H2,1,3H3,(H,20,22)/b19-16+.
What are the key properties of N-cyclopropyl-5-[[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-3-methylthiophene-2-sulfinamide?
N-cyclopropyl-5-[[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-3-methylthiophene-2-sulfinamide has a molecular weight of 415.55 g/mol, XLogP of 2.50, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[3-imino-4-[1-(1-methylpyrazol-4-yl)ethenyl]pyrazin-2-yl]amino]-3-methylthiophene-2-sulfinamide is sourced from PubChem (CID 143460627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).