4-methyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine

C12H22N4S — CID 103359393

IUPAC4-methyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC1CCN(C(C)C)C1
InChIInChI=1S/C12H22N4S/c1-8(2)16-5-4-10(7-16)6-14-12-9(3)11(13)15-17-12/h8,10,14H,4-7H2,1-3H3,(H2,13,15)
InChIKeyHDECETJHZVTCJW-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.18
Rot. Bonds4

About 4-methyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine

4-methyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359393) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-methyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103359393
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name4-methyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC1CCN(C(C)C)C1
InChIInChI=1S/C12H22N4S/c1-8(2)16-5-4-10(7-16)6-14-12-9(3)11(13)15-17-12/h8,10,14H,4-7H2,1-3H3,(H2,13,15)
InChIKeyHDECETJHZVTCJW-UHFFFAOYSA-N
XLogP2.18
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103359393) is 4-methyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCC1CCN(C(C)C)C1.
What is the InChIKey of 4-methyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is HDECETJHZVTCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-8(2)16-5-4-10(7-16)6-14-12-9(3)11(13)15-17-12/h8,10,14H,4-7H2,1-3H3,(H2,13,15).
What are the key properties of 4-methyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine?
4-methyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 254.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).