4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine

C10H16BrN3S — CID 79400155

IUPAC4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(Br)cs1)C1CCNC1
InChIInChI=1S/C10H16BrN3S/c1-2-5-14(8-3-4-12-6-8)10-13-9(11)7-15-10/h7-8,12H,2-6H2,1H3
InChIKeyYBXSBWIZVYHAQN-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.48
Rot. Bonds4

About 4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine

4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine (PubChem CID 79400155) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine
PubChem CID79400155
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(Br)cs1)C1CCNC1
InChIInChI=1S/C10H16BrN3S/c1-2-5-14(8-3-4-12-6-8)10-13-9(11)7-15-10/h7-8,12H,2-6H2,1H3
InChIKeyYBXSBWIZVYHAQN-UHFFFAOYSA-N
XLogP2.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-propyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 63304047
2-cyclopropyl-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978098
N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 63304405
6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 106973223
N-ethyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine
CID 63300017
6-chloro-N-propyl-N-pyrrolidin-3-ylpyridazin-3-amine
CID 63304490
3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 112676147
4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 112638621
5-chloro-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 105369954
5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304263
5-methyl-N-propyl-N-pyrrolidin-3-ylpyridazin-3-amine
CID 106550166
6-methyl-3-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 81135778

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine (CID 79400155) is 4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine is CCCN(c1nc(Br)cs1)C1CCNC1.
What is the InChIKey of 4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine?
The InChIKey is YBXSBWIZVYHAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-2-5-14(8-3-4-12-6-8)10-13-9(11)7-15-10/h7-8,12H,2-6H2,1H3.
What are the key properties of 4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine?
4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine has a molecular weight of 290.23 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-propyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 79400155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).