4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine

C11H18ClN3S — CID 106619127

IUPAC4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(C)N(CC1CCCN1)c1nc(Cl)cs1
InChIInChI=1S/C11H18ClN3S/c1-8(2)15(6-9-4-3-5-13-9)11-14-10(12)7-16-11/h7-9,13H,3-6H2,1-2H3
InChIKeyUODUTOCMMNVNPQ-UHFFFAOYSA-N
MW259.81 g/mol
LogP2.76
Rot. Bonds4

About 4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine

4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 106619127) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID106619127
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCC(C)N(CC1CCCN1)c1nc(Cl)cs1
InChIInChI=1S/C11H18ClN3S/c1-8(2)15(6-9-4-3-5-13-9)11-14-10(12)7-16-11/h7-9,13H,3-6H2,1-2H3
InChIKeyUODUTOCMMNVNPQ-UHFFFAOYSA-N
XLogP2.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 106641327
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 83837370
3,5-dichloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106618965
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,2,4-triazin-3-amine
CID 83838459
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602849
4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106618868
3-[(4-chloro-1,3-thiazol-2-yl)-propan-2-ylamino]propanenitrile
CID 83151920
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine
CID 106619114
4,6-dimethyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106618773
5-chloro-3-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106641533
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 106619125
4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106618884

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine (CID 106619127) is 4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine is CC(C)N(CC1CCCN1)c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is UODUTOCMMNVNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-8(2)15(6-9-4-3-5-13-9)11-14-10(12)7-16-11/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine?
4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 259.81 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 106619127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).