4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine

C11H19N3S — CID 103365241

IUPAC4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
SMILESCc1c(N)nsc1N1CCC(C(C)C)C1
InChIInChI=1S/C11H19N3S/c1-7(2)9-4-5-14(6-9)11-8(3)10(12)13-15-11/h7,9H,4-6H2,1-3H3,(H2,12,13)
InChIKeyCCDMTXIGRSAYBV-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.52
Rot. Bonds2

About 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine

4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine (PubChem CID 103365241) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
PubChem CID103365241
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
SMILESCc1c(N)nsc1N1CCC(C(C)C)C1
InChIInChI=1S/C11H19N3S/c1-7(2)9-4-5-14(6-9)11-8(3)10(12)13-15-11/h7,9H,4-6H2,1-3H3,(H2,12,13)
InChIKeyCCDMTXIGRSAYBV-UHFFFAOYSA-N
XLogP2.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103384135
5-(4-tert-butylpiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine
CID 103360617
5-(3-ethoxypiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine
CID 103361875
4-methylsulfonyl-5-(4-propan-2-ylazepan-1-yl)-1,2-thiazol-3-amine
CID 103382069
4-cyclopropylsulfonyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505423
[1-(3-amino-4-methyl-1,2-thiazol-5-yl)piperidin-3-yl]methanol
CID 103361986
4-(2-methyl-1,3-thiazol-4-yl)-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505421
5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,2-thiazol-3-amine
CID 103360525
3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2,4-dicarbonitrile
CID 103506256
5-(3,3-difluoropyrrolidin-1-yl)-4-methyl-1,2-thiazol-3-amine
CID 131115596
3-amino-N-cyclopropyl-5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carboxamide
CID 103383893
4-methyl-5-(1,4-thiazepan-4-yl)-1,2-thiazol-3-amine
CID 103361831

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine (CID 103365241) is 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine is Cc1c(N)nsc1N1CCC(C(C)C)C1.
What is the InChIKey of 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
The InChIKey is CCDMTXIGRSAYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-7(2)9-4-5-14(6-9)11-8(3)10(12)13-15-11/h7,9H,4-6H2,1-3H3,(H2,12,13).
What are the key properties of 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine?
4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine has a molecular weight of 225.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103365241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).